Combined ontologies developed or co-developed by the VIMMP project
type: Ontology
bibliographic citation: doi:10.1007/s13218-020-00648-9
bibliographic citation: doi:10.1021/acs.jced.9b00739
bibliographic citation: doi:10.5281/zenodo.3936795
contributor: Adham Hashibon
contributor: Andrea Scotto di Minico
contributor: Andreas Fiseni
contributor: Barbara Andreon
contributor: Barbora Planková (ORCID 0000-0002-3309-6809)
contributor: Björn Schembera (ORCID 0000-0003-2860-6621)
contributor: Christoph Niethammer
contributor: Daniele Toti (ORCID 0000-0002-9668-6961)
contributor: Emanuele Ghedini (ORCID 0000-0003-3805-8761)
contributor: Esteban Bayro Kaiser (ORCID 0000-0002-5281-0836)
contributor: Georg J. Schmitz (0000-0003-4065-9742)
contributor: Gerhard Goldbeck (ORCID 0000-0002-4181-2852)
contributor: Gianluca Boccardo (ORCID 0000-0003-1264-8237)
contributor: Hauke Brüning
contributor: Helge Krieg
contributor: Ignacio Pagonabarraga Mora (ORCID 0000-0002-6187-5025)
contributor: Jadran Vrabec (ORCID 0000-0002-7947-4051)
contributor: Javier Díaz Brañas
contributor: Jean-Pierre Minier
contributor: Joshua D. Elliott (ORCID 0000-0002-0729-246X)
contributor: Karel Šindelka (ORCID 0000-0003-3925-924X)
contributor: Mara Chiricotto (ORCID 0000-0003-1609-5254)
contributor: Martin Lísal (ORCID 0000-0001-8005-7143)
contributor: Natalia A. Konchakova
contributor: Paola Carbone (ORCID 0000-0001-9927-8376)
contributor: Pascale Noyret
contributor: Peter Klein
contributor: Peter Schiffels
contributor: Philipp Neumann
contributor: Vincent Stobiac
contributor: Vladimir Lobaskin (ORCID 0000-0002-5231-0639)
contributor: Welchy Leite Cavalcanti
contributor: Youness Bami
contributor: Yvan Fournier
contributor: Éric Fayolle
creator: Ilian T. Todorov (ORCID 0000-0001-7275-1784)
creator: Martin Thomas Horsch (ORCID 0000-0002-9464-6739)
creator: Michael A. Seaton (ORCID 0000-0002-4708-573X)
creator: Silvia Chiacchiera (ORCID 0000-0003-0422-7870)
license: GNU Lesser General Public License (LGPL) version 3
modified: 2021-01-02
publisher: Virtual Materials Marketplace (VIMMP) project consortium
comment: The authors acknowledge funding from the European Union's Horizon 2020 research and innovation programme under grant agreement no. 760907, Virtual Materials Marketplace (VIMMP).
version info: Combined ontology release dated 2nd January 2021

hasParameter
type: ObjectProperty
sub property of: is sign for
comment: relates a PaaSPort 'Characteristic' to a 'PaaSParameter'

has quantity kind
type: ObjectProperty
sub property of: has sign
inverse of: isQuantityKindOf
range: QuantityKind

EMMORelation
type: ObjectProperty
sub property of: immanent relation
type: SymmetricProperty
type: TransitiveProperty
domain: EMMO
range: EMMO
type: NamedIndividual
comment: EMMO top relation

connected
type: ObjectProperty
sub property of: mereotopological
type: SymmetricProperty
domain: EMMO
range: EMMO
type: NamedIndividual
comment: 4D spatiotemporal relation of immediate connectivity or contact

disconnected
type: ObjectProperty
sub property of: mereotopological
type: SymmetricProperty
domain: EMMO
range: EMMO
type: NamedIndividual
comment: the meaning of this is not clarified by the EMMO - it could be the complement of 'connected' or the complement of its transitive closure (i.e., of path connectivity)

encloses
type: ObjectProperty
sub property of: connected
type: TransitiveProperty
domain: EMMO
range: EMMO
type: NamedIndividual
comment: a generalized improper parthood relation; the EMMO is not quite clear how exactly 'encloses' differs from 'hasPart', and why 'encloses' is not a subproperty of 'hasOverlapWith'

hasContactWith
type: ObjectProperty
sub property of: connected
type: SymmetricProperty
domain: EMMO
range: EMMO
type: NamedIndividual

hasConvention
type: ObjectProperty
sub property of: hasSign
domain: Object
range: Conventional
type: NamedIndividual
comment: signification of an Object by a Conventional Sign (i.e., according to convention)

hasIcon
type: ObjectProperty
sub property of: hasSign
domain: Object
range: Icon
type: NamedIndividual
comment: signification of an Object by an Icon (i.e., a Sign that resembles the Object)

hasIndex
type: ObjectProperty
sub property of: hasSign
domain: Object
range: Index
type: NamedIndividual
comment: signification of an Object by an Index (i.e., a Sign that indicates the Object due to causal contiguity)

hasInterpretant
type: ObjectProperty
sub property of: hasSign
domain: Object
range: Interpretant
type: NamedIndividual
comment: connects an Object to the internal representation (Interpretant) given to it by an Interpreter

hasMember
type: ObjectProperty
sub property of: hasProperPart
domain: Collection
range: Item
type: NamedIndividual
comment: hasMember relates an unconnected object (Collection) to its connected components (Items)

hasModel
type: ObjectProperty
equivalent property: has model
sub property of: hasIcon
inverse of: is model for
domain: Object
range: Model
type: NamedIndividual
comment: connects an Object to a Model that represents it

hasOverlapWith
type: ObjectProperty
sub property of: connected
type: SymmetricProperty
domain: EMMO
range: EMMO
property chain axiom: hasProperPart
property chain axiom:
  inverse of: hasProperPart
type: NamedIndividual

hasPart
type: ObjectProperty
sub property of: encloses
sub property of: hasOverlapWith
type: TransitiveProperty
domain: EMMO
range: EMMO
type: NamedIndividual
comment: 4D spatiotemporal parthood relation (reflexive version, i.e., improper parthood)

hasParticipant
type: ObjectProperty
sub property of: hasPart
domain: Process
range: Participant
type: NamedIndividual
comment: participation, i.e., (improper) parthood that relates to participation with a specific role in a Process

hasProperPart
type: ObjectProperty
sub property of: hasPart
inverse of: is proper part of
type: TransitiveProperty
domain: EMMO
range: EMMO
type: NamedIndividual
comment: 4D spatiotemporal parthood relation (antireflexive version, i.e., proper parthood)

hasProperParticipant
type: ObjectProperty
sub property of: hasParticipant
sub property of: hasProperPart
domain: Process
range: Participant
type: NamedIndividual
comment: participation, i.e., (proper) parthood that relates to participation with a specific role in a Process

hasProperty
type: ObjectProperty
sub property of: hasConvention
domain: Object
range: Property
type: NamedIndividual

hasQuantityValue
type: ObjectProperty
sub property of: hasSpatialPart
domain: Quantity
range: Number
type: NamedIndividual

hasReferenceUnit
type: ObjectProperty
sub property of: hasSpatialPart
domain: Quantity
range: ReferenceUnit
type: NamedIndividual

hasSign
type: ObjectProperty
equivalent property: has sign
sub property of: EMMORelation
inverse of: is sign for
domain: Object
range: Sign
type: NamedIndividual
comment: signification, connecting a referenced entity to a sign that represents it by semiosis

hasSpatialPart
type: ObjectProperty
sub property of: hasProperPart
type: TransitiveProperty
domain: Item
range: Item
type: NamedIndividual
comment: proper parthood where the spatial extensions differ, while the temporal extensions are the same

hasSpatioTemporalPart
type: ObjectProperty
sub property of: hasProperPart
type: TransitiveProperty
domain: Item
range: Item
type: NamedIndividual
comment: proper parthood where both the spatial _and_ temporal extensions differ

hasTemporalPart
type: ObjectProperty
sub property of: hasProperPart
type: TransitiveProperty
domain: Item
range: Item
type: NamedIndividual
comment: proper parthood where the temporal extensions differ, while the spatial extensions are the same

hasVariable
type: ObjectProperty
sub property of: hasConvention
domain: Mathematical
range: Variable
type: NamedIndividual
comment: relates a Mathematical object to a Variable that represents it

mereotopological
type: ObjectProperty
sub property of: EMMORelation
type: SymmetricProperty
type: TransitiveProperty
domain: EMMO
range: EMMO
type: NamedIndividual
comment: Top mereotopological relation

conceptual necessity
type: ObjectProperty
sub property of: immanent relation
domain: immanent entity
range: immanent entity
comment: X conceptual_necessity Y == for some property P, A concept for X, B concept for Y, in all realizations [some A] P [some B]

conceptual possibility
type: ObjectProperty
sub property of: individual possibility
domain: immanent entity
range: immanent entity
comment: X conceptual_possibility Y == for some property P, A concept for X, B concept for Y, in some realization [all A] P [all B]

conceptualizes
type: ObjectProperty
sub property of: is sign for
sub property of: n loc or rnoc
inverse of: is conceptualized by
type: ReflexiveProperty
domain: conceptualization
range: immanent entity
comment: :X viprs:conceptualizes :Y == the conceptualization :X is more (or equally) generic individual than :Y; in particular, this applies to two cases: 1) :X represents the concept :x, and :Y is an individual of :x. 2) :X represents the concept :x, while :Y represents the concept :y which is a subclass of :x (and hence, :X viprs:is_broader_than :Y). In particular, conceptualizes is a subproperty of is_sign_for (:X is_sign_for :Y, as is clear from the above), and also of n_loc_or_rnoc, i.e., occurrence of :Y necessarily implies an occurrence of :X, as a consequence of :X being more generic.

enables
type: ObjectProperty
sub property of: can cooccur with
sub property of: satisfies requirement of
inverse of: is enabled by
comment: X enables Y == (X satisfies_requirement_of Y) and (X can_cooccur_with Y), fitting the semantics commonly associated with providing a feature or capability

has numerical part of sign
type: ObjectProperty
sub property of: has symbolic part of sign
domain: immanent entity
range: immanent entity
comment: X has_numerical_part_of_sign Y == there is a sign Z for X; the sign Z has a proper part Y that is a number object

has requirement satisfied by
type: ObjectProperty
sub property of: n lnoc cor roc
inverse of: satisfies requirement of
comment: X has_requirement_satisfied_by Y == in all realizations, X does not occur or [some B] occurs, where B conceptualizes Y

has subsign
type: ObjectProperty
sub property of: mereosemiotic relation
inverse of: is subsign of
domain: immanent entity
range: immanent entity
property chain axiom: mereosemiotics is hs
property chain axiom: mereosemiotics ip is hs
property chain axiom: mereosemiotics is hs ip
comment: X has_subsign Y == X and Y are signs, there is a sign X' that shares a referent (represented object) with X, and there is a sign Y' that shares a referent with Y, such that X' has_proper_part Y'; in other words, X and Y can be rewritten, retaining their meaning at least in one particular respect, such that the alternate formulation of Y is a proper part of the alternate formulation of X; remark: if X and Y are signs, X has_proper_part Y implies X has_subsign Y

has symbolic part of sign
type: ObjectProperty
sub property of: mereosemiotics hs hp
inverse of: is symbolic part of sign for
domain: immanent entity
range: immanent entity
comment: X has_symbolic_part_of_sign Y == there is a sign Z for X; the sign Z has a proper part Y that is a symbolic entity

has textual part of sign
type: ObjectProperty
sub property of: has symbolic part of sign
domain: immanent entity
range: immanent entity
comment: X has_symbolic_part_of_sign Y == there is a sign Z for X; the sign Z has a proper part Y that is a string object

immanent relation
type: ObjectProperty
sub property of: top relation
domain: immanent entity
range: immanent entity
comment: immanent relation, i.e., a relation between immanent entities

individual necessity
type: ObjectProperty
sub property of: conceptual necessity
sub property of: individual possibility
domain: immanent entity
range: immanent entity
comment: X individual_necessity Y == for some P, in all realizations X P Y

individual possibility
type: ObjectProperty
sub property of: immanent relation
domain: immanent entity
range: immanent entity
comment: X individual_possibility Y == for some P, in some realization X P Y

is broader than
type: ObjectProperty
sub property of: narrower
sub property of: conceptualizes
inverse of: is narrower than
type: TransitiveProperty
domain: conceptualization
range: conceptualization
comment: (A is broader than B): A represents a concept that is a superclass of the concept represented by B

is enabled by
type: ObjectProperty
sub property of: can cooccur with
sub property of: has requirement satisfied by
comment: X is_enabled_by Y == (X has_requirement_satisfied_by Y) and (X can_cooccur_with Y), i.e., a) there is a requirement for the occurrence of X that is satisfied by the occurrence of Y, and b) it is actually possible that X occurs in this way, facilitated by Y

is narrower than
type: ObjectProperty
sub property of: broader
sub property of: is conceptualized by
type: TransitiveProperty
domain: conceptualization
range: conceptualization
comment: (A is narrower than B): A represents a concept that is a subclass of the concept represented by B

is sign for potential cooccurrent of
type: ObjectProperty
sub property of: individual cooccurrence possibility
sub property of: mereosemiotic relation
domain: immanent entity
range: immanent entity
property chain axiom: is sign for
property chain axiom: can cooccur with
comment: X is_sign_for_potential_cooccurrent_of Y == X is_sign_for Z, and Z can_cooccur_with Y

is subsign of
type: ObjectProperty
sub property of: mereosemiotic relation
domain: immanent entity
range: immanent entity
property chain axiom: mereosemiotics is hs
property chain axiom: mereosemiotics ip is hs
property chain axiom: mereosemiotics is hs ip
comment: X is_subsign_of Y == X and Y are signs, there is a sign X' that shares a referent (represented object) with X, and there is a sign Y' that shares a referent with Y, such that X' is_proper_part_of Y'; in other words, X and Y can be rewritten, retaining their meaning at least in one particular respect, such that the alternate formulation of X is a proper part of the alternate formulation of Y; remark: if X and Y are signs, X is_proper_part_of Y implies X is_subsign_of Y

mutual independence
type: ObjectProperty
sub property of: p lnoc and roc
sub property of: p loc and rnoc
type: SymmetricProperty
comment: X mutual_independence Y == (X can occur without Y) and (Y can occur without X)

mutual requirement
type: ObjectProperty
sub property of: has requirement satisfied by
sub property of: satisfies requirement of
type: SymmetricProperty
comment: X mutual_requirement Y == (X satisfies_requirement_of Y) and (Y satisfies_requirement_of X)

n lnoc cor rnoc
type: ObjectProperty
sub property of: conceptual cooccurrence necessity
type: SymmetricProperty
domain: immanent entity
range: immanent entity
comment: X n_lnoc_cor_rnoc Y == in all realizations, [some A] does not occur or [some B] does not occur; therein, A conceptualizes X, and B conceptualizes Y

n lnoc cor roc
type: ObjectProperty
sub property of: conceptual cooccurrence necessity
inverse of: n loc cor rnoc
domain: immanent entity
range: immanent entity
comment: X n_lnoc_cor_roc Y == in all realizations, [some A] does not occur or [some B] occurs; therein, A conceptualizes X, and B conceptualizes Y

n lnoc or rnoc
type: ObjectProperty
sub property of: individual cooccurrence necessity
sub property of: n lnoc cor rnoc
type: SymmetricProperty
domain: immanent entity
range: immanent entity
comment: X n_lnoc_or_rnoc Y == in all realizations, X does not occur or Y does not occur

n lnoc or roc
type: ObjectProperty
sub property of: individual cooccurrence necessity
sub property of: n lnoc cor roc
inverse of: n loc or rnoc
type: TransitiveProperty
domain: immanent entity
range: immanent entity
comment: X n_lnoc_or_roc Y == in all realizations, X does not occur or Y occurs

n loc cor rnoc
type: ObjectProperty
sub property of: conceptual cooccurrence necessity
domain: immanent entity
range: immanent entity
comment: X n_loc_cor_rnoc Y == in all realizations, [some A] occurs or [some B] does not occur; therein, A conceptualizes X, and B conceptualizes Y

n loc cor roc
type: ObjectProperty
sub property of: conceptual cooccurrence necessity
type: SymmetricProperty
domain: immanent entity
range: immanent entity
comment: X n_loc_cor_roc Y == in all realizations, [some A] occurs or [some B] occurs; therein, A conceptualizes X, and B conceptualizes Y

n loc or rnoc
type: ObjectProperty
sub property of: individual cooccurrence necessity
sub property of: n loc cor rnoc
type: TransitiveProperty
domain: immanent entity
range: immanent entity
comment: X n_loc_or_rnoc Y == in all realizations, X occurs or Y does not occur

n loc or roc
type: ObjectProperty
sub property of: individual cooccurrence necessity
sub property of: n loc cor roc
type: SymmetricProperty
domain: immanent entity
range: immanent entity
comment: X n_loc_or_roc Y == in all realizations, X occurs or Y occurs

p lnoc and rnoc
type: ObjectProperty
sub property of: individual cooccurrence possibility
type: SymmetricProperty
domain: non necessary entity
range: non necessary entity
comment: X p_lnoc_and_rnoc Y == in some realization, X does not occur and Y does not occur

p lnoc and roc
type: ObjectProperty
sub property of: individual cooccurrence possibility
inverse of: p loc and rnoc
domain: non necessary entity
range: possible entity
comment: X p_lnoc_and_roc Y == in some realization, X does not occur and Y occurs

p lnoc cand rnoc
type: ObjectProperty
sub property of: conceptual cooccurrence possibility
sub property of: p lnoc and rnoc
type: SymmetricProperty
domain: non necessary entity
range: non necessary entity
comment: X p_lnoc_cand_rnoc Y == in some realization, [no A] occurs and [no B] occurs; therein, A conceptualizes X, and B conceptualizes Y

p lnoc cand roc
type: ObjectProperty
sub property of: conceptual cooccurrence possibility
sub property of: p lnoc and roc
inverse of: p loc cand rnoc
domain: non necessary entity
range: possible entity
comment: X p_lnoc_cand_roc Y == in some realization, [no A] occurs and [all B] occur; therein, A conceptualizes X, and B conceptualizes Y

p loc and rnoc
type: ObjectProperty
sub property of: individual cooccurrence possibility
domain: possible entity
range: non necessary entity
comment: X p_loc_and_rnoc Y == in some realization, X occurs and Y does not occur

p loc and roc
type: ObjectProperty
sub property of: individual cooccurrence possibility
type: SymmetricProperty
domain: possible entity
range: possible entity
comment: X p_loc_and_roc Y == in some realization, X occurs and Y occurs

p loc cand rnoc
type: ObjectProperty
sub property of: conceptual cooccurrence possibility
sub property of: p loc and rnoc
domain: possible entity
range: non necessary entity
comment: X p_loc_cand_rnoc Y == in some realization, [all A] occur and [no B] occurs; therein, A conceptualizes X, and B conceptualizes Y

p loc cand roc
type: ObjectProperty
sub property of: conceptual cooccurrence possibility
sub property of: p loc and roc
type: SymmetricProperty
domain: possible entity
range: possible entity
comment: X p_loc_cand_roc Y == in some realization, [all A] occur and [all B] occur; therein, A conceptualizes X, and B conceptualizes Y

satisfies requirement of
type: ObjectProperty
sub property of: n loc cor rnoc
comment: X satisfies_requirement_of Y == in all realizations, [some A] occurs or Y does not occur, where A conceptualizes X

transcendent relation
type: ObjectProperty
sub property of: top relation
domain: top entity
range: top entity
comment: transcendent relation, i.e., a non-immanent relation (involving a transcendent entity)

has channel member
type: ObjectProperty
sub property of: hasProperParticipant
sub property of: has agent
inverse of: has access to
domain: channel
range: agent
comment: points to an agent that participates in connunicating through a channel

has granularity
type: ObjectProperty
sub property of: has meta annotation
sub property of: mereosemiotics is hp hs
domain: materials modelling format
range: granularity level
comment: points to the granularity level to which the entities represented in the file format belong

has job data locator
type: ObjectProperty
sub property of: has structure element
domain: hpc job parameters
range: hpc job data locator
comment: relates an hpc_job_parameters structure to an HPC job data locator

has job id
type: ObjectProperty
sub property of: has structure element
domain: hpc job parameters
range: hpc job id
comment: relates an hpc_job_parameters structure to its hpc_job_id element

has job name
type: ObjectProperty
sub property of: has structure element
domain: hpc job parameters
range: hpc job name
comment: relates an hpc_job_parameters structure to its hpc_job_name element

is io format of
type: ObjectProperty
sub property of: is sign for potential cooccurrent of
domain: io format
range: software tool
comment: points to a software tool that can process files in a given I/O format

addresses
type: ObjectProperty
sub property of: has process annotation
sub property of: mereosemiotics hp ip hs
inverse of: is addressed by
domain: mm project
range: application case
comment: points to an application case that is addressed by the present materials modelling project

belongs to project
type: ObjectProperty
sub property of: is proper part of
inverse of: has project step
domain: project step
range: project
comment: points to the project within which a step occurs

considers application case
type: ObjectProperty
sub property of: mereosemiotics hp ip hs
domain: translation step
range: section
comment: points to an application case considered by the translation step

considers business case
type: ObjectProperty
sub property of: considers application case
domain: translation step bc
range: business case
comment: points to a business case considered within translation stage no. 1

considers indicator
type: ObjectProperty
sub property of: mereosemiotics hp hs
domain: translation step
range: indicator
comment: points to an indicator (e.g., a KPI) considered by the translation step

considers industrial case
type: ObjectProperty
sub property of: considers application case
domain: translation step ic
range: industrial case
comment: points to an industrial case considered within translation stage no. 2

considers kpi model
type: ObjectProperty
sub property of: mereosemiotics hp hs hs
domain: translation step decision
range: kpi model
comment: points to a KPI model developed/considered/employed within translation stage no. 6

considers materials model
type: ObjectProperty
sub property of: mereosemiotics hp hs
domain: translation step modelling
range: materials model
comment: points to a model considered within translation stage no. 4

considers use case
type: ObjectProperty
sub property of: considers application case
domain: translation step data
range: use case
comment: points to a use case considered within translation stage no. 3

considers workflow
type: ObjectProperty
sub property of: mereosemiotics hp hs ip
domain: translation step modelling
range: workflow graph
comment: points to a MODA/OSMO workflow graph considered within translation stage no. 4

describes process
type: ObjectProperty
sub property of: is sign for
domain: key performance indicator
range: process
range: Class
  union of: business process
  union of: manufacturing process
comment: points to a business or manufacturing process that is described with this KPI

describes product
type: ObjectProperty
sub property of: is sign for
domain: key performance indicator
range: product
comment: points to a product that is described with this KPI

has bc aspect
type: ObjectProperty
sub property of: has application case aspect
domain: business case
range: bc aspect
comment: points to a business-case aspect

has bc kpi
type: ObjectProperty
sub property of: mereosemiotics is hp hs
inverse of: occurs in bc
domain: business case
range: key performance indicator
comment: points to a KPI that is relevant for the business case

has bca context
type: ObjectProperty
sub property of: has bc aspect
domain: business case
range: bca context
comment: points to information on the context of the BC (in text form); e.g., on revenue streams, market competitors, distribution channels, market shares, maximum time to solution, risk management, open/closed innovation, etc.

has bca contribution to benefit
type: ObjectProperty
sub property of: has bc aspect
domain: business case
range: bca contribution to benefit
comment: points to information on a contribution to end-user benefit (text plus value)

has bca contribution to cost
type: ObjectProperty
sub property of: has bc aspect
domain: business case
range: bca contribution to cost
comment: points to information on a contribution to end-user cost (text plus value)

has bca currency
type: ObjectProperty
sub property of: has bc aspect
domain: business case
range: bca currency
comment: points to information on the budgeting currency

has bca decision support
type: ObjectProperty
sub property of: has bc aspect
sub property of: has case decision support
domain: business case
range: bca decision support
comment: points to information on the business decision support system

has bca description
type: ObjectProperty
sub property of: has bc aspect
domain: business case
range: bca description
comment: points to the BC aspect containing an abstract or a rough description of the BC in text form

has bca industrial case
type: ObjectProperty
sub property of: has bc aspect
domain: business case
range: bca industrial case
comment: points to information on an industrial case associated with the present BC

has bca red zone
type: ObjectProperty
sub property of: has bc aspect
domain: business case
range: bca red zone
comment: points to information on a red zone, i.e., operational or social constraint (contained in text form)

has bca return on investment
type: ObjectProperty
sub property of: has bc aspect
domain: business case
range: bca return on investment
comment: points to information on the return on investment for the end user

has bca total benefit
type: ObjectProperty
sub property of: has bc aspect
domain: business case
range: bca total benefit
comment: points to information on the total end-user benefit

has bca total cost
type: ObjectProperty
sub property of: has bc aspect
domain: business case
range: bca total cost
comment: points to information on the total end-user cost

has ic aspect
type: ObjectProperty
sub property of: has application case aspect
domain: industrial case
range: ic aspect
comment: points to an industrial-case aspect

has ic kpi
type: ObjectProperty
sub property of: mereosemiotics is hp hs
inverse of: occurs in ic
domain: industrial case
range: key performance indicator
comment: points to a KPI that is relevant for the industrial case

has ica constraints
type: ObjectProperty
sub property of: has ic aspect
domain: industrial case
range: ica constraints
comment: points to information on constraints that need to be taken into account (production capabilities, supply-chain issues, etc.)

has ica data access
type: ObjectProperty
sub property of: has ic aspect
domain: industrial case
range: ica data access
comment: points to information on the data access conditions (free or proprietary, who provides the data, etc.)

has ica data source
type: ObjectProperty
sub property of: has ic aspect
domain: industrial case
range: ica data source
comment: points to information on the available data sources (documents, citations, databases, or similar)

has ica decision support
type: ObjectProperty
sub property of: has ic aspect
sub property of: has case decision support
domain: industrial case
range: ica decision support
comment: points to information on the industrial decision support system

has model variable
type: ObjectProperty
sub property of: has proper part
domain: kpi model
range: logical variable
comment: points to a variable that occurs in the KPI model (as a model parameter, input, or argument)

has project coordinator
type: ObjectProperty
sub property of: has project participant
domain: project
range: agent
comment: agent that carries the main responsibility for the project

has project participant
type: ObjectProperty
sub property of: has proper part
domain: project
range: agent
comment: agent that participates in the project

has project size
type: ObjectProperty
sub property of: mereosemiotics hs hp
domain: project
range: project size
comment: points to size of the project

has project step
type: ObjectProperty
sub property of: has proper part
domain: project
range: project step
comment: points to a step that occurs within the project

has represented kpi
type: ObjectProperty
sub property of: is model for
domain: key performance indicator
comment: points to a KPI that is represented (modelled) by the present KPI model

has step content
type: ObjectProperty
sub property of: has proper part
domain: project step
range: document
comment: points to a document produced by or associated with the project step

has step coordinator
type: ObjectProperty
sub property of: has step participant
domain: project step
range: agent
comment: agent that carries the main responsibility for the project step

has step decision support
type: ObjectProperty
sub property of: has proper part
domain: translation step decision
range: application decision support system
comment: points to a decision support system employed within translation stage no. 6

has step participant
type: ObjectProperty
sub property of: has proper part
domain: project step
range: agent
comment: agent that participates in the project step

has subproject
type: ObjectProperty
sub property of: has proper part
type: TransitiveProperty
domain: project
range: project
comment: points to a part of the project (e.g., a work package) that can also be considered as a (smaller) project by itself

has tc aspect
type: ObjectProperty
sub property of: has application case aspect
domain: translation case
range: tc aspect
comment: points to a translation-case aspect

has tca business case
type: ObjectProperty
sub property of: has tc aspect
domain: translation case
range: tca business case
comment: points to information on the budget, etc., (i.e., business case), as included in the EMMC Translation Case Template

has tca decision support
type: ObjectProperty
sub property of: has tc aspect
sub property of: has case decision support
domain: translation case
range: tca decision support
comment: points to information on the translation decision support system

has tca discussion
type: ObjectProperty
sub property of: has tc aspect
domain: translation case
range: tca discussion
comment: points to information on discussions related to establishing a translation solution, as included in the EMMC Translation Case Template: arguments to select the modelling approach; inventory and data quality assessment / dedicated experimental work / validation steps; discussions on model accuracy / necessary investments; description of how the client (i.e., end user) was involved

has tca end user
type: ObjectProperty
sub property of: has tc aspect
domain: translation case
range: tca end user
comment: points to information on the involved client (i.e., end user), as included in the EMMC Translation Case Template

has tca evaluation
type: ObjectProperty
sub property of: has tc aspect
domain: translation case
range: tca evaluation
comment: points to information on evaluating the translation case (by means of an assessment from VIVO), as included in the EMMC Translation Case Template

has tca expected outcome
type: ObjectProperty
sub property of: has tc aspect
domain: translation case
range: tca expected outcome
comment: points to information on the expected outcome (text description), as included in the EMMC Translation Case Template

has tca impact
type: ObjectProperty
sub property of: has tc aspect
domain: translation case
range: tca impact
comment: points to information on the impact the translation case (how did the client use the results? etc.), i.e., the client benefits as included in the EMMC Translation Case Template

has tca industrial case
type: ObjectProperty
sub property of: has tc aspect
domain: translation case
range: tca industrial case
comment: points to information on the industrial problem (i.e., industrial case), as included in the EMMC Translation Case Template

has tca kpi model
type: ObjectProperty
sub property of: has tc aspect
domain: translation case
range: tca kpi model
comment: points to information on the employed KPI model(s)

has tca pe type
type: ObjectProperty
sub property of: has tc aspect
domain: translation case
range: tca pe type
comment: points to information on the model type (i.e., physical equation type), as included in the EMMC Translation Case Template

has tca translator
type: ObjectProperty
sub property of: has tc aspect
domain: translation case
range: tca translator
comment: points to information on the involved translator, as included in the EMMC Translation Case Template

has translation step
type: ObjectProperty
sub property of: has project step
domain: mm project
range: project step
comment: points to a translation step that occurs within the materials modelling project

occurs in bc
type: ObjectProperty
sub property of: has property annotation
sub property of: mereosemiotics is ip hs
domain: key performance indicator
range: business case
comment: points to a business case for which this KPI is relevant

occurs in ic
type: ObjectProperty
sub property of: has property annotation
sub property of: mereosemiotics is ip hs
domain: key performance indicator
range: industrial case
comment: points to an industrial case for which this KPI is relevant

applies to
type: ObjectProperty
sub property of: shares a sign with
inverse of: considers
domain: section
domain: Class
  union of: materials model
  union of: simulation overview
  union of: use case
range: workflow graph
comment: points to the workflow (sub)graph to which a particular use case or materials model applies

considers
type: ObjectProperty
sub property of: shares a sign with
domain: workflow graph
range: section
range: Class
  union of: materials model
  union of: simulation overview
  union of: use case
comment: points to the use case or materials model considered by a workflow (sub)graph

considers model
type: ObjectProperty
sub property of: considers
domain: workflow graph
range: materials model
comment: points to the materials model considered by a workflow (sub)graph

considers use case
type: ObjectProperty
sub property of: has annotation
sub property of: considers
domain: workflow graph
range: use case
comment: points to the use case considered by a workflow (sub)graph

contains
type: ObjectProperty
sub property of: has proper part
domain: concrete graph
range: workflow resource
comment: [G contains R] if R occurs as a proper part/component of graph G

contains precomputed variable
type: ObjectProperty
sub property of: contains variable
domain: condition
range: logical variable
comment: points to a parameter that is computed within the workflow, but available and fixed at run time (of the element associate with the present condition), i.e., an input parameter that is not specified by the user

contains predetermined variable
type: ObjectProperty
sub property of: contains variable
domain: condition
range: logical variable
comment: points to a parameter that is determined before workflow execution begins, i.e., an input parameter that is not specified by the user

contains runtime variable
type: ObjectProperty
sub property of: contains variable
domain: condition
range: logical variable
comment: points to a parameter that is only determined at run time (of the element associate with the present condition) or that is varied at run time

contains undetermined variable
type: ObjectProperty
sub property of: contains variable
domain: condition
range: logical variable
comment: points to a parameter for which no value can be obtained (in an executable simulation workflow, undetermined parameters can only be present in conditions associated with elements that are never executed)

contains variable
type: ObjectProperty
sub property of: has proper part
domain: condition
range: logical variable
comment: points to a parameter (e.g., variable or input value) occurring in a condition

has application case aspect
type: ObjectProperty
sub property of: has meta annotation
sub property of: has aspect
domain: application case
range: application case aspect
comment: points to an application-case aspect (as in MODA or extensions of MODA)

has array element
type: ObjectProperty
sub property of: has structure element
domain: logical array
range: logical variable
comment: points to an array element

has aspect
type: ObjectProperty
sub property of: has symbolic part of sign
domain: section
range: section aspect
comment: points to an aspect associated with the respective OSMO/MODA section

has aspect annotation content
type: ObjectProperty
sub property of: has meta annotation
sub property of: has aspect object content
domain: section aspect
range: annotation
comment: points to an annotation object (i.e., a non-paradigmatic object) associated with an aspect/subsection

has aspect object content
type: ObjectProperty
sub property of: mereosemiotics hp is
inverse of: is aspect content of
domain: section aspect
range: marketplace related entity
comment: points to an object associated with an aspect/subsection

has aspect paradigmatic content
type: ObjectProperty
sub property of: has aspect object content
domain: section aspect
range: paradigmatic entity
comment: points to a paradigmatic object associated with an aspect/subsection

has case decision support
type: ObjectProperty
sub property of: has application case aspect
domain: application case
range: application case decision support
comment: points to information on the application decision support system

has cause
type: ObjectProperty
sub property of: has requirement satisfied by
inverse of: has effect
type: TransitiveProperty
domain: workflow graph
range: workflow graph
comment: [G has_cause F] means that in every execution, F needs to finish before G can begin

has computational representation
type: ObjectProperty
sub property of: has solver aspect
domain: solver
range: computational representation
comment: MODA subsection 3.4

has constraint
type: ObjectProperty
sub property of: has proper part
domain: decision support system
range: condition
comment: points to a constraint of the optimization problem

has current value
type: ObjectProperty
sub property of: has value
domain: logical variable
range: logical value
comment: value associated with a logical variable at any concrete state/point in time, either explictly specified or clear from context

has default value
type: ObjectProperty
sub property of: has value
domain: logical variable
range: logical value
comment: value to be associated with a logical variable in the absence of any other overriding assertion

has dynamic array size
type: ObjectProperty
sub property of: has symbolic part of sign
domain: logical array
range: unique elementary
comment: points to a variable that contains the (dynamic) array size; convention: element indices run from 0 to the array size minus one

has element unit
type: ObjectProperty
sub property of: has annotation
type: FunctionalProperty
domain: logical array
range: unit
comment: unit in which values of array elements are given (does not apply if the array elements are logical structures)

has elementary value
type: ObjectProperty
sub property of: has value
domain: elementary logical
range: elementary value
comment: value associated with an elementary logical variable

has final elementary value
type: ObjectProperty
sub property of: has elementary value
sub property of: has final value
domain: elementary logical
range: elementary value
comment: value associated with an elementary logical variable in a terminal state, e.g., at the end of a workflow or subworkflow execution

has final value
type: ObjectProperty
sub property of: has value
domain: logical variable
range: logical value
comment: value associated with a logical variable in a terminal state, e.g., at the end of a workflow or subworkflow execution

has generic element
type: ObjectProperty
sub property of: has array element
domain: logical array
range: logical variable
comment: points to the generic representation of the array elements (which is the same for all index values)

has index
type: ObjectProperty
sub property of: has proper part
domain: indexed graph
range: logical variable
comment: points to the logical variable/index to which multiple values are assigned

has index unit
type: ObjectProperty
sub property of: has annotation
type: FunctionalProperty
domain: indexed graph
range: unit
comment: unit in which the index values are given (not required; in many typical cases, the index is dimensionless)

has initial value
type: ObjectProperty
sub property of: has value
domain: logical variable
range: logical value
comment: value associated with a logical variable in an initial state, e.g., at the start of a workflow or subworkflow execution

has internal lv
type: ObjectProperty
sub property of: has symbolic part of sign
domain: section
range: logical variable
comment: points to information that plays a role within the respective OSMO/MODA section

has internal mp
type: ObjectProperty
sub property of: has internal lv
domain: section
range: material property
range: logical variable
comment: points to physical information that plays a role within the respective OSMO/MODA section

has io format
type: ObjectProperty
sub property of: has annotation
domain: section
range: io format
property chain axiom: has logical io
property chain axiom: is encoded by
comment: points to a format employed for I/O in the technical implementation of the respective OSMO/MODA section

has logical input
type: ObjectProperty
sub property of: has logical io
domain: section
range: logical variable
comment: points to information that needs to be provided

has logical io
type: ObjectProperty
sub property of: has symbolic part of sign
domain: section
range: logical variable
comment: points to information required or produced by a OSMO/MODA section

has logical output
type: ObjectProperty
sub property of: has logical io
domain: section
range: logical variable
comment: points to information that is obtained as a result from the respective OSMO/MODA section

has material information uf
type: ObjectProperty
sub property of: has aspect annotation content
sub property of: has unit function
domain: material information
range: material information uf
comment: points to the element function associated with the present material information (an OSMO/MODA section can have multiple material informations, describing different units)

has materials relation
type: ObjectProperty
sub property of: has materials model ge
domain: materials model
range: materials relation
comment: MODA subsection 2.4

has maximization objective
type: ObjectProperty
sub property of: has objective
domain: decision support system
range: maximization objective
comment: points to a target quantity that is to be maximized

has minimization objective
type: ObjectProperty
sub property of: has objective
domain: decision support system
range: minimization objective
comment: points to a target quantity that is to be minimized

has model aspect
type: ObjectProperty
sub property of: has model annotation
sub property of: has aspect
domain: materials model
range: model aspect
comment: points to an aspect associated with a materials model (as in MODA)

has model boundary condition
type: ObjectProperty
sub property of: has boundary condition
sub property of: has model aspect
domain: materials model
range: model boundary condition
comment: MODA subsection 2.5

has model granularity
type: ObjectProperty
sub property of: has model aspect
domain: materials model
range: model granularity
comment: MODA subsection 2.2

has model type
type: ObjectProperty
sub property of: has method type
sub property of: has model aspect
domain: materials model
range: model type
comment: MODA subsection 2.1

has objective
type: ObjectProperty
sub property of: has proper part
domain: decision support system
range: optimization objective
comment: points to a target quantity

has overview access conditions
type: ObjectProperty
sub property of: has simulation overview aspect
domain: simulation overview
range: overview access conditions
comment: MODA cover sheet, aspect 4

has overview literature
type: ObjectProperty
sub property of: has section literature
sub property of: has simulation overview aspect
domain: simulation overview
range: overview literature
comment: MODA cover sheet, aspect 3

has overview model description
type: ObjectProperty
sub property of: has simulation overview aspect
domain: simulation overview
range: overview model description
comment: MODA cover sheet, aspect 2

has overview rationale
type: ObjectProperty
sub property of: has simulation overview aspect
domain: simulation overview
range: overview rationale
comment: MODA cover sheet, aspect 5

has overview use case description
type: ObjectProperty
sub property of: has simulation overview aspect
domain: simulation overview
range: overview use case description
comment: MODA cover sheet, aspect 1

has physical equation
type: ObjectProperty
sub property of: has materials model ge
domain: materials model
range: physical equation
comment: MODA subsection 2.3

has physical input
type: ObjectProperty
sub property of: has logical input
domain: section
range: material property
range: logical variable
comment: points to required physical (thermodynamic or mechanical) information, which needs to be provided, e.g., from the output of another OSMO/MODA section

has physical output
type: ObjectProperty
sub property of: has logical output
domain: section
range: material property
range: logical variable
comment: points to desired physical (thermodynamic or mechanical) information which is obtained as a result from the respective OSMO/MODA section

has processor aspect
type: ObjectProperty
sub property of: has meta annotation
sub property of: has aspect
domain: processor
range: processor aspect
comment: points to an aspect associated with a processor

has processor error statement
type: ObjectProperty
sub property of: has error statement
sub property of: has processor aspect
domain: processor
range: processor error statement
comment: MODA subsection 4.3

has processor method type
type: ObjectProperty
sub property of: has meta annotation
sub property of: has method type
sub property of: has processor aspect
domain: processor
range: processor method type
comment: MODA subsection 4.2

has processor software
type: ObjectProperty
sub property of: has employed software
sub property of: has processor aspect
domain: processor
range: processor software
comment: OSMO-only subsection 4.4, extending MODA

has simulation data owner
type: ObjectProperty
sub property of: has requirement satisfied by
domain: simulation workflow
range: agent
comment: Data owner, information to be provided as part of an overall simulation workflow description, cf. heading of the MODA cover sheet; since conducting the simulation requires the authorization and hence 'occurrence' of a/the data owner, this relation is positioned below viprs:has_requirement_satisfied_by

has simulation outcome
type: ObjectProperty
sub property of: has process annotation
sub property of: has subgraph
domain: workflow graph
range: logical node
comment: points to a node that contains a logical resource with (all or part of) the end outcome of the simulation workflow

has simulation overview
type: ObjectProperty
sub property of: has annotation
sub property of: mereosemiotics is hs
sub property of: considers
domain: simulation workflow
range: simulation overview
comment: points to the overview of a simulation workflow

has simulation overview aspect
type: ObjectProperty
sub property of: has meta annotation
sub property of: has aspect
domain: simulation overview
range: simulation overview aspect
comment: points to an aspect of a simulation overview (following MODA)

has solver aspect
type: ObjectProperty
sub property of: has meta annotation
sub property of: has aspect
domain: solver
range: solver aspect
comment: points to an aspect associated with a solver

has solver boundary condition
type: ObjectProperty
sub property of: has boundary condition
sub property of: has solver aspect
domain: solver
range: solver boundary condition
comment: MODA subsection 3.5

has solver method type
type: ObjectProperty
sub property of: has method type
sub property of: has solver aspect
domain: solver
range: solver method type
comment: MODA subsection 3.1

has solver parameter
type: ObjectProperty
sub property of: has section parameter
sub property of: has solver aspect
domain: solver
range: solver parameter
comment: MODA subsection 3.6

has solver software
type: ObjectProperty
sub property of: has employed software
sub property of: has solver aspect
domain: solver
range: solver software
comment: MODA subsection 3.2

has solver timestep
type: ObjectProperty
sub property of: has solver aspect
sub property of: has temporal discretization
domain: solver
range: solver timestep
comment: MODA subsection 3.3

has specific element
type: ObjectProperty
sub property of: has array element
domain: logical array
range: logical variable
comment: points to one particular array element (identified by a specific index value)

has starting point
type: ObjectProperty
sub property of: has annotation
sub property of: has subgraph
domain: workflow graph
range: workflow node
comment: points to the position, or a position, where the workflow execution begins

has structure element
type: ObjectProperty
sub property of: has proper part
domain: structure term
range: logical term
comment: points to an element of a structure

has subgraph
type: ObjectProperty
sub property of: has proper part
sub property of: n lnoc or roc
type: TransitiveProperty
domain: workflow graph
range: workflow graph
comment: points to a subgraph, i.e., a graph that is subordinate (to the present graph) by containment and/or instantiation

has term unit
type: ObjectProperty
sub property of: has proper part
type: FunctionalProperty
domain: elementary term
range: unit
comment: unit associated with any assigned decimal values

has terminal point
type: ObjectProperty
sub property of: has annotation
sub property of: has subgraph
domain: workflow graph
range: workflow node
comment: points to the position, or a position, where the workflow execution terminates

has use case aspect
type: ObjectProperty
sub property of: has application case aspect
domain: use case
range: use case aspect
comment: points to a use-case aspect (as in MODA)

has use case boundary condition
type: ObjectProperty
sub property of: has boundary condition
sub property of: has use case aspect
domain: use case
range: use case boundary condition
comment: MODA subsection 1.5

has use case decision support
type: ObjectProperty
sub property of: has case decision support
sub property of: has use case aspect
domain: use case
range: use case decision support
comment: points to information on the use-case decision support system (UDSS)

has use case description
type: ObjectProperty
sub property of: has section description
sub property of: has use case aspect
domain: use case
range: use case description
comment: MODA subsection 1.1

has use case geometry
type: ObjectProperty
sub property of: has geometry information
sub property of: has use case boundary condition
domain: use case
range: use case geometry
comment: MODA subsection 1.3

has use case literature
type: ObjectProperty
sub property of: has section literature
sub property of: has use case aspect
domain: use case
range: use case literature
comment: MODA subsection 1.6

has use case material
type: ObjectProperty
sub property of: has material information
sub property of: has use case aspect
domain: use case
range: use case material
comment: MODA subsection 1.2

has use case timespan
type: ObjectProperty
sub property of: has timespan
sub property of: has use case aspect
domain: use case
range: use case timespan
comment: MODA subsection 1.4

has value
type: ObjectProperty
sub property of: is sign for
sub property of:
  inverse of: hasConvention
domain: logical variable
range: logical value
comment: points to a value associated with a logical variable

has variable unit
type: ObjectProperty
sub property of: hasReferenceUnit
sub property of: has term unit
type: FunctionalProperty
domain: elementary logical
range: unit
comment: unit associated with any assigned decimal values

instantiates
type: ObjectProperty
sub property of: has subgraph
domain: concrete graph
range: virtual graph
comment: use of this relation: a virtual graph can be defined by describing a concrete graph that instantiates it (e.g., a single loop iteration), i.e., which is related to the corresponding virtual graph by osmo:instantiates

is addressed by
type: ObjectProperty
sub property of: mereosemiotics is hp ip
domain: application case
range: mm project
comment: points to a materials modelling project that addresses the present application case

is contained within
type: ObjectProperty
sub property of: is proper part of
type: TransitiveProperty
domain: workflow graph
range: concrete graph
comment: [F is_contained_within G] if F is contained within graph G, e.g., as a subgraph

is contingent on
type: ObjectProperty
sub property of: has symbolic part of sign
domain: contingent graph
range: condition
comment: whenever one or several conditions are not fulfilled, a resource that is contingent on them is absent/inactive

is coupled with
type: ObjectProperty
sub property of: mutual requirement
domain: workflow graph
range: workflow graph
comment: if [F is_coupled_with G] they must occur synchronously when a workflow that contains them is executed

is direct cause of
type: ObjectProperty
sub property of: has effect
sub property of: is linked to
inverse of: is direct effect of
domain: workflow graph
range: workflow graph
comment: if [F is direct cause of G] there is an immediate link by which G depends on the conclusion of F

is encoded by
type: ObjectProperty
sub property of: has annotation
domain: logical variable
range: io format
comment: format by which the present logical variable is represented in the technical implementation of a simulation workflow

is independent of
type: ObjectProperty
sub property of: mutual independence
domain: workflow graph
range: workflow graph
comment: two workflow graphs F and G are independent if they (and any of their subgraphs) are not coupled or linked to each other

is linked to
type: ObjectProperty
sub property of: mutual requirement
domain: workflow graph
range: workflow graph
comment: if [F is linked to G] they cannot be executed concurrently; one side depends on the completion of the other side

has offered course
type: ObjectProperty
sub property of: mereosemiotics is hp
inverse of: is offered by
domain: training service
range: course
comment: points to a course that is offered as part of the activities carried out as a training service

has specifier
type: ObjectProperty
sub property of: has meta annotation
domain: learning outcome
range: specifier
comment: points to an operator, operand, implementation, or example specifier of a learning outcome

is about
type: ObjectProperty
sub property of: IAO_0000136
sub property of: is sign for
domain: information content entity
range: marketplace related entity
comment: points to an object to which an information content entity refers

is part of course
type: ObjectProperty
sub property of: is proper part of
type: FunctionalProperty
domain: training unit
range: course
comment: points to the course to which the given training unit belongs

allows
type: ObjectProperty
sub property of: is symbolic part of sign for
sub property of:
  inverse of: has interpreter annotation
domain: access rule
range: interlocutor
property disjoint with: excludes
comment: [A allows B] means that B, who is an interlocutor, must be granted access

allows all
type: ObjectProperty
sub property of: is symbolic part of sign for
sub property of:
  inverse of: has interpreter annotation
domain: access rule
range: interlocutor group
property disjoint with: excludes all
comment: [A allows_all C] means that all interlocutors from group C must be granted access

contains
type: ObjectProperty
sub property of: has proper part
type: TransitiveProperty
domain: communication
range: communication
comment: The expression [A contains B] means that B is a proper part of A, where A and B are both communications

corresponds to
type: ObjectProperty
sub property of: has meta annotation
type: SymmetricProperty
type: TransitiveProperty
domain: personal title
range: personal title
comment: relation that connects equivalent or approximately equivalent titles (e.g., versions in different languages or from different countries)

excludes
type: ObjectProperty
sub property of: is symbolic part of sign for
sub property of:
  inverse of: has interpreter annotation
domain: access rule
range: interlocutor
comment: [A excludes B] means that B, who is an interlocutor, must be denied access

excludes all
type: ObjectProperty
sub property of: is symbolic part of sign for
sub property of:
  inverse of: has interpreter annotation
domain: access rule
range: interlocutor group
comment: [A excludes_all C] means that all interlocutors from group C must be denied access

follows
type: ObjectProperty
sub property of: is enabled by
sub property of: is sign for
inverse of: is followed by
domain: message
range: message
comment: (C follows D): C and D are messages, and C addresses or refers to D

has access rule
type: ObjectProperty
sub property of: has communication annotation
type: FunctionalProperty
domain: communication
range: access rule
comment: regulates (read) access to the communicated content

has address qualifier
type: ObjectProperty
sub property of: has address content
domain: address
range: address content
comment: content that needs to be added to an address, e.g., additional address lines

has affiliation
type: ObjectProperty
sub property of: is member of
domain: person
range: institution
comment: indicates an institutional affiliation

has author
type: ObjectProperty
sub property of: is enabled by
inverse of: is author of
type: FunctionalProperty
domain: communication
range: agent
comments: points to the agent that has issued the given communication

has file content format
type: ObjectProperty
sub property of: has communication annotation
domain: communication
range: file format
comment: format of the file associated with this communication by the relation has_file_content_locator

has object content
type: ObjectProperty
sub property of: mereosemiotics hp is
domain: communication
range: marketplace related entity
comment: points to an object (which can be any resource on the semantic web) that constitutes a/the communicated content

has signal
type: ObjectProperty
sub property of: is followed by
domain: message
range: signal statement
comment: relates the message to a signal statement such as 'I like'

is certifier of
type: ObjectProperty
sub property of: satisfies requirement of
inverse of: has certifier
domain: certifier
range: certificate
comment: points to a certificate for which a certifier is (co-)responsible, having either issued the certificate or formally approved of its content

is extended form of
type: ObjectProperty
sub property of: corresponds to
inverse of: is shortened form of
type: TransitiveProperty
domain: personal title
range: personal title
comment: the two titles refer to the same degree, only that this one is a longer written form of it than the other

is followed by
type: ObjectProperty
sub property of: enables
sub property of: has sign
domain: message
range: message
comment: (C is_followed_by D): C and D are messages, and D addresses or refers to C

is gendered form of
type: ObjectProperty
sub property of: corresponds to
type: SymmetricProperty
type: TransitiveProperty
domain: personal title
range: personal title
comment: this relation applies if the difference between the two given titles essentially reduces to gender (n.b., this also holds if one of the two forms does not denote gender explicitly)

is inferior to
type: ObjectProperty
sub property of: shares a sign with
inverse of: is superior to
type: TransitiveProperty
domain: titular rank
range: titular rank
comment: relation corresponding to the hierarchical order of titles

is local to
type: ObjectProperty
sub property of: has meta annotation
domain: personal title
range: country
comment: points to a country where this title is recognized and used in the given form

is shortened form of
type: ObjectProperty
sub property of: corresponds to
type: TransitiveProperty
domain: personal title
range: personal title
comment: the two titles refer to the same degree, only that this one is a shorter written form of it than the other

is superior to
type: ObjectProperty
sub property of: shares a sign with
type: TransitiveProperty
domain: titular rank
range: titular rank
comment: relation corresponding to the hierarchical order of titles

is translated form of
type: ObjectProperty
sub property of: corresponds to
type: SymmetricProperty
type: TransitiveProperty
domain: personal title
range: personal title
comment: this relation applies if the difference between the two given titles essentially reduces to a choice of language or country

prefix is posterior to
type: ObjectProperty
sub property of: can cooccur with
inverse of: prefix is prior to
type: TransitiveProperty
domain: personal title
range: personal title
comment: relation that determines the order in which title prefixes are written down

prefix is prior to
type: ObjectProperty
sub property of: can cooccur with
type: TransitiveProperty
domain: personal title
range: personal title
comment: relation that determines the order in which title prefixes are written down

suffix is posterior to
type: ObjectProperty
sub property of: can cooccur with
inverse of: suffix is prior to
type: TransitiveProperty
domain: personal title
range: personal title
comment: relation that determines the order in which title suffixes are written down

suffix is prior to
type: ObjectProperty
sub property of: can cooccur with
type: TransitiveProperty
domain: personal title
range: personal title
comment: relation that determines the order in which title suffixes are written down

ability relation
type: ObjectProperty
sub property of: immanent relation
comment: Relates objects based on some functionality, capability, i.e., the potentiality to do something. It concerns the functioning of an object. It can be in both directions (having an ability or being an ability).

can run on
type: ObjectProperty
sub property of: n lnoc cor roc
sub property of: depends on
domain: software tool
range: operating system
comment: Relates a software tool to operating systems.

connection relation
type: ObjectProperty
sub property of: immanent relation
comment: Relates objects in ways that are other than parthood, ability, dependence, similarity and documentation.

dependence relation
type: ObjectProperty
sub property of: immanent relation
comment: Relates objects with any kind of dependence (e.g, functional dependence, legal dependence, causality, authorship). It can be in both directions (i.e., depending on something or having dependents).

depends on
type: ObjectProperty
sub property of: dependence relation
inverse of: has dependent
comment: Refers to any kind of dependence. For example, functional dependence (e.g., a tool requires a library), legal dependence (e.g., a product is owned/distribued by an agent), causality (e.g., something exists or happens after something else), authorship (e.g, a book has an author).

documentation relation
type: ObjectProperty
sub property of: immanent relation
comment: Relates objects based on documentation (e.g, descriptions, explanations or classifications). It can be in both directions (i.e., having some documentation or being documentation of something).

has dependent
type: ObjectProperty
sub property of: dependence relation
comment: Refers to any kind of dependence. For example, functional dependence (e.g., a library is required by a tool), legal dependence (e.g., an agent owns/distributes a product), causality (e.g., something exists or happens beofre something else), authorship (e.g, an author writes a book).

has documentation
type: ObjectProperty
sub property of: has sign
sub property of: documentation relation
inverse of: is documentation of
comment: Points to a description, explanation or classification of an object.

has feature
type: ObjectProperty
sub property of: has ability
inverse of: is feature of
domain: software tool
range: software tool feature
comment: To describe the (solver and model) features of a software tool.

has not feature
type: ObjectProperty
sub property of: immanent relation
domain: software tool
range: software tool feature
comment: Note: this property should not be used as an alternative to a proper negation of has_feature. It was introduced to allow the reasoner to make deductions about non-features from the software_update entities. Also, it is supposed to be incompatible with (owl:propertyDisjointWith) has_feature, but the OWL language does not allow to impose this constraint

has older version
type: ObjectProperty
sub property of: depends on
sub property of: has other version
type: TransitiveProperty
domain: software
range: software
property chain axiom: is output of
property chain axiom: has input
comment: Note: this property is meant to be irreflexive (owl:IrreflexiveProperty), but the OWL language does not allow to impose this constraint

has part
type: ObjectProperty
sub property of: mereosemiotics hp ip
sub property of: parthood relation
inverse of: is part of
comment: It concerns the constitution of an object (also in the sense of the participants of a process).

has vimmp contact
type: ObjectProperty
sub property of: immanent relation
sub property of: is connected to
domain: software
range: human agent
comment: points to the VIMMP human agent(s) to be contacted about the given software

involves
type: ObjectProperty
sub property of: has part
inverse of: is involved in
domain: Class
  union of: modeling related entity
  union of: software tool feature
range: Class
  union of: model object
  union of: function
  union of: variable
comment: [X involves Y] means that there is a mathematical expression or an algorithmic formulation of X that contains the variable, function or model object Y

is compatible with
type: ObjectProperty
sub property of: can cooccur with
sub property of: is connected to
type: SymmetricProperty
domain: software tool
range: software tool
comment: Asserts compatibility (i.e., the ability to exchange information directly, with no need to interface) between sofware tools.

is documentation of
type: ObjectProperty
sub property of: is sign for
sub property of: documentation relation
comment: Is a description, explanation or classification of an object.

is mathematically related to
type: ObjectProperty
sub property of: immanent relation
sub property of: is connected to
type: SymmetricProperty
domain: marketplace related entity
range: marketplace related entity
comment: [X is_mathematically_related_to Y] if X and Y are related to each other by a mathematical transformation, such as, for example, differentiation, integration or Fourier transform.

is modelling twin of
type: ObjectProperty
sub property of: immanent relation
sub property of: is similar to
type: SymmetricProperty
type: TransitiveProperty
comment: Relates two objects that (despite being possibly distinct individuals) are equivalent from the modelling point of view. For example, a DPD thermostat is equivalent to the combination of Random and Drag forces, and a hard sphere can be represented using an infinite potential.

is part of
type: ObjectProperty
sub property of: mereosemiotics hp ip
sub property of: parthood relation
comment: It concerns the constitution of an object (also in the sense of the participants of a process).

is similar to
type: ObjectProperty
sub property of: similarity relation
type: SymmetricProperty
type: TransitiveProperty
comment: Refers to any kind of similarity, intended as some common aspect. It is a transitive and symmetric property. We intentionally avoid reflexivity, since it would be uninformative.

is tool for model
type: ObjectProperty
sub property of: has ability
domain: software tool
range: model type
comment: Relates software tools and RoMM models.

parthood relation
type: ObjectProperty
sub property of: immanent relation
comment: Relates objects based on the their constitution (also in the sense of participants in a process). It can be in both directions (i.e., having parts or being parts of something).

requires
type: ObjectProperty
sub property of: n lnoc or roc
sub property of: depends on
domain: software tool
range: software
comment: Relates a software tool to libraries and/or operating systems.

similarity relation
type: ObjectProperty
sub property of: immanent relation
comment: Relates objects based on similarity, intended as some common aspect.

evaluates
type: ObjectProperty
sub property of: is sign for
domain: assessment
range: marketplace related entity
comment: points to the object evaluated by an assessment

has assertion
type: ObjectProperty
sub property of: has proper part
domain: assessment
range: assertion
comment: points to an assertion made within an assessment

has certifier
type: ObjectProperty
sub property of: has requirement satisfied by
domain: certificate
range: certifier
comment: connects a certificate to the certifier who is responsible for the included assessment (not necessarily identical with the author who communicates the certificate)

has error statement
type: ObjectProperty
sub property of: has proper part
domain: material property information
range: accuracy assertion
comment: points to an accuracy assertion contained within a material property information

has unit
type: ObjectProperty
sub property of: has information content entity annotation
type: FunctionalProperty
domain: assertion
range: unit
comment: points to the unit in which any numerical contents of an assertion are given

is quantity kind
type: ObjectProperty
sub property of: has property annotation
sub property of: has sign
type: FunctionalProperty
domain: material property
range: QuantityKind
comment: points to the physical property characterization following QUDT

refers to material
type: ObjectProperty
sub property of: is sign for
type: FunctionalProperty
domain: material assertion
range: material
comment: points to the material to which a material assertion refers

refers to mp
type: ObjectProperty
sub property of: refers to property
type: FunctionalProperty
domain: material assertion
range: material property
comment: points to the material property (MP) to which a material assertion refers

has attached function
type: ObjectProperty
sub property of: involves function
inverse of: is function attached to
domain: model object
range: function
comment: [X has_attached_function Y] means that the model object X (say, a particle or a fluid) has an attached function Y (say, a wavefunction or a velocity field)

has attached variable
type: ObjectProperty
sub property of: involves variable
inverse of: is variable attached to
domain: model object
range: object variable
comment: [X has_attached_variable Y] means that the model object X (say, a particle) has an attached variable Y (say, its mass or velocity)

has position
type: ObjectProperty
sub property of: has attached variable
domain: Class
  union of: model object
  union of: structureless object
  union of: classical object
range: object position
comment: Points to the position of a point in space.

involves function
type: ObjectProperty
sub property of: involves
inverse of: is function involved in
domain: Class
  union of: modeling related entity
  union of: software tool feature
range: function
comment: [X involves_function Y] means that there is a mathematical expression or an algorithmic formulation of X that contains the function Y

involves variable
type: ObjectProperty
sub property of: involves
inverse of: is variable involved in
domain: Class
  union of: modeling related entity
  union of: software tool feature
range: variable
comment: [X involves_variable Y] means that there is a mathematical expression or an algorithmic formulation of X that contains the variable Y

shares role with
type: ObjectProperty
sub property of: immanent relation
sub property of: is similar to
type: SymmetricProperty
type: TransitiveProperty
domain: variable
range: variable
comment: [X shares_role_with Y] means that the variables X and Y have the same role in the model or solver. This property can be used to instantiate variables that are already defined in VOV as individuals and to connect them to those. For example, it can be used to relate the epsilon parameters of multiple Lennard-Jones potentials to each other and to the concept present in VOV.

shares value with
type: ObjectProperty
sub property of: mereosemiotics is hs
sub property of: is similar to
type: SymmetricProperty
type: TransitiveProperty
domain: variable
range: variable
property chain axiom: has value
property chain axiom:
  inverse of: has value
comment: [X shares_value_with Y] means that the variables X and Y have the same numerical value

hasParameterDataValue
type: DatatypeProperty
sub property of: has content
comment: relates a PaaSParameter to an elementary data value

has cr name
type: DatatypeProperty
sub property of: has name
domain: computational resource
range: string
comment: specifies a/the name of a computational resource

has bc summary
type: DatatypeProperty
sub property of: has textual content
sub property of: has application case summary
domain: business case
range: string
comment: plain-text summary of the business case

has emmc guide no
type: DatatypeProperty
sub property of: has numerical identifier
domain: translation step
range: nonNegativeInteger
comment: step no. from the EMMC Translators Guide corresponding to the translation step

has ic summary
type: DatatypeProperty
sub property of: has textual content
sub property of: has application case summary
domain: industrial case
range: string
comment: plain-text summary of the industrial case

has model name
type: DatatypeProperty
sub property of: has name
domain: kpi model
range: string
comment: name or identifier of the KPI model

has objective description
type: DatatypeProperty
sub property of: has descriptor
domain: project
range: string
comment: description of a project objective in text form

has project description
type: DatatypeProperty
sub property of: has descriptor
domain: project
range: string
comment: description of the project in text form

has project identifier
type: DatatypeProperty
sub property of: has label
domain: project
range: string
comment: identifier of the project in text form

has step description
type: DatatypeProperty
sub property of: has descriptor
domain: project step
range: string
comment: description of the project step in text form

has step identifier
type: DatatypeProperty
sub property of: has label
domain: project step
range: string
comment: identifier of the project step

has tc summary
type: DatatypeProperty
sub property of: has textual content
sub property of: has application case summary
domain: translation case
range: string
comment: plain-text summary of the translation case

has application case summary
type: DatatypeProperty
sub property of: has textual content
domain: application case
range: string
comment: plain-text summary of the application case

has aspect scalar content
type: DatatypeProperty
sub property of: has numerical content
domain: section aspect
range: decimal
comment: numerical value associated with an aspect/subsection (as in MODA)

has aspect text content
type: DatatypeProperty
sub property of: has textual content
domain: section aspect
range: string
comment: plain-text description of an aspect/subsection (as in MODA)

has cas number
type: DatatypeProperty
sub property of: has standardized reference
type: FunctionalProperty
domain: material
range: string
comment: points to the Chemical Abstracts Service Registry Number (CASRN, or CAS number) associated with a material

has coupled instances
type: DatatypeProperty
sub property of: has flag
domain: indexed graph
range: boolean
comment: indicates whether any of the multiple instantiations of this resource are coupled (synchronized) with each other

has ec number
type: DatatypeProperty
sub property of: has standardized reference
type: FunctionalProperty
domain: material
range: string
comment: points to the EC number (i.e., the European common market number) associated with a material

has index name
type: DatatypeProperty
sub property of: has name
domain: logical array
range: string
comment: this property can be used to assign a variable name to the array index

has index value
type: DatatypeProperty
sub property of: has numerical content
domain: indexed graph
range: decimal
comment: points to each of the multiple values that are given to the index

has linked instances
type: DatatypeProperty
sub property of: has flag
domain: indexed graph
range: boolean
comment: indicates whether any of the multiple instantiations of this resource are sequentially linked to each other

has lrid
type: DatatypeProperty
sub property of: has label
domain: logical resource
range: string
comment: points to the logical resource ID (LRID) associated with the present logical resource; n.b., this ID has technical purposes (for notational and visualization purposes, use osmo:has_logical_label)

has resource label
type: DatatypeProperty
sub property of: has label
domain: marketplace related entity
range: string
comment: label to be used, e.g., in graph representations and for other visualization purposes

has simulation project acronym
type: DatatypeProperty
sub property of: has descriptor
domain: simulation workflow
range: string
comment: Project acronym, to be provided as part of an overall simulation workflow description, cf. heading of the MODA cover sheet ('MOdelling DAta providing a description for <user-case name> simulated in project ')

has simulation use case name
type: DatatypeProperty
sub property of: has name
domain: simulation workflow
range: string
comment: Use-case 'name', to be provided as part of an overall simulation workflow description, cf. heading of the MODA cover sheet ('MOdelling DAta providing a description for <user-case name> simulated in project ')

has static array size
type: DatatypeProperty
sub property of: has numerical specifier
domain: logical array
range: nonNegativeInteger
comment: value that gives the array size; convention: element indices run from 0 to the array size minus one

has term index
type: DatatypeProperty
sub property of: has numerical identifier
domain: logical term
range: nonNegativeInteger
comment: identifies a term by a non-negative integer number; in particular, use for array terms (numbering convention: from 0 to array size minus 1)

has use case summary
type: DatatypeProperty
sub property of: has textual content
sub property of: has application case summary
domain: use case
range: string
comment: plain-text summary of the MODA/OSMO use case

has variable index
type: DatatypeProperty
sub property of: has numerical identifier
sub property of: has term index
domain: logical variable
range: nonNegativeInteger
comment: identifies a variable by a non-negative integer number; in particular, use for logical arrays (numbering convention: from 0 to array size minus 1)

has workflow diagram url
type: DatatypeProperty
sub property of: has file metadata item
domain: simulation workflow
range: anyURI
comment: URL of a diagram ('workflow picture' according to the MODA cover sheet) illustrating the simulation workflow

is interactive
type: DatatypeProperty
sub property of: has flag
domain: logical resource
range: boolean
comment: states whether an external entity (user interaction, or some process not represented in the workflow) has write access to this resource at execution time

has external url
type: DatatypeProperty
sub property of: has standardized reference
sub property of: has url
domain: citation
range: string
comment: to be used for URLs that are external to the respective infrastructure

has internal url
type: DatatypeProperty
sub property of: has standardized reference
sub property of: has url
domain: citation
range: string
comment: to be used for URLs pointing to the internal storage belonging to an infrastructure (e.g., Osthus cloud)

has text form
type: DatatypeProperty
sub property of: has textual content
domain: information content entity
range: string
comment: xs:string representation of the information content

is at numerical level
type: DatatypeProperty
sub property of: has numerical specifier
type: FunctionalProperty
domain: operator level
range: nonNegativeInteger
comment: value which is 0 (special case: below basic), 1 (basic), 2 (intermediate), 3 (advanced), 4 (expert), or 5 (special case: exceptional distinction or unique skill)

has communication date
type: DatatypeProperty
sub property of: has specifier
domain: communication
range: dateTime
comment: any date (submission, expiry, etc.) associated with a communication

has file content locator
type: DatatypeProperty
sub property of: has standardized reference
domain: communication
range: string
comment: this may be a URL or a path where the file can be accessed

has fractional progress
type: DatatypeProperty
sub property of: has numerical specifier
domain: processed status
range: decimal
comment: fractional extent to which the communication has been processed; minimum: 0 for zero progress, maximum: 1 for completion

has prefix element
type: DatatypeProperty
sub property of: has flag
domain: personal title
range: boolean
comment: is true if there is a part of the title that goes before the name, such as Dr.

has prefix text
type: DatatypeProperty
sub property of: has textual content
domain: personal title
range: string
comment: title (or part of it) that goes before the name

has suffix element
type: DatatypeProperty
sub property of: has flag
domain: personal title
range: boolean
comment: is true if there is a part of the title that goes after the name, such as jr.

has suffix text
type: DatatypeProperty
sub property of: has textual content
domain: personal title
range: string
comment: title (or part of it) that goes after the name

ability dp relation
type: DatatypeProperty
sub property of: immanent datatype property
comment: Datatype property based on some functionality, capability, i.e., the potentiality to do something. It concerns the functioning of an object. It can be in both directions (i.e., having an ability or being an ability).

connection dp relation
type: DatatypeProperty
sub property of: immanent datatype property
comment: Datatype property that is other than parthood, ability, dependence, similarity and documentation.

dependence dp relation
type: DatatypeProperty
sub property of: immanent datatype property
comment: Datatype property based on any kind of dependence (e.g, functional dependence, legal dependence, causality, authorship). It can be in both directions (i.e., depending on something or having dependents).

documentation dp relation
type: DatatypeProperty
sub property of: immanent datatype property
comment: Datatype property based on documentation (e.g, descriptions, explanations or classifications). It can be in both directions (i.e., having some documentation or being documentation of something).

has accessible exe
type: DatatypeProperty
sub property of: has flag
type: FunctionalProperty
domain: software tool
range: boolean
comment: the tool executable can be accessed. It implies there is a command line interface in the sense that the executable can be called from a terminal

has main name
type: DatatypeProperty
sub property of: has name
sub property of: documentation dp relation
type: FunctionalProperty
domain: software
range: string
comment: identifies the main name of a software, without version information

has memory requirement
type: DatatypeProperty
sub property of: has specifier
sub property of: dependence dp relation
domain: software
range: string
comment: Generic memory requirement, can concern both storage and RAM

has release date
type: DatatypeProperty
sub property of: has specifier
sub property of: documentation dp relation
type: FunctionalProperty
domain: software
range: dateTime
comment: Note: xs:date would be the appropriate datatype, we don't use it because it is currently not recognized by the FaCT++ reasoner. Therefore, conventionally, we set the time as T00:00:00+00:00 for all individuals.

has version identifier
type: DatatypeProperty
sub property of: has specifier
sub property of: documentation dp relation
type: FunctionalProperty
domain: software
range: string
comment: identifies the version of a software (can be a number or a suffix in the name)

is open source
type: DatatypeProperty
sub property of: has flag
sub property of: ability dp relation
sub property of: dependence dp relation
type: FunctionalProperty
domain: software
range: boolean
comment: Open source means there is access to the source code, but also that the distribution terms comply with certain criteria (e.g., about re-distribution)

parthood dp relation
type: DatatypeProperty
sub property of: immanent datatype property
comment: Datatype property based on objects constitution (also in the sense of participants in a process). It can be in both directions (i.e., having parts or being parts of something).

similarity dp relation
type: DatatypeProperty
sub property of: immanent datatype property
comment: Datatype property based on similarity, intended as some common aspect.

has stars
type: DatatypeProperty
sub property of: has numerical content
domain: review assessment
range: decimal
comment: By convention, the number of stars will normally be an integer between zero and five; in special circumstances, exceptions (non-integer, or negative, or six stars, etc.) may be justified.

has scope
type: DatatypeProperty
sub property of: has specifier
domain: variable
range: string
comment: Points to the scope of a variable (e.g. OBJECT, PAIR, SYSTEM, UNIVERSE)

has species
type: DatatypeProperty
sub property of: has specifier
domain: model object
range: string
comment: Species in a broad sense (chemical species in atomistic models, particle/object type in general).

is frozen
type: DatatypeProperty
sub property of: has flag
domain: model object
range: boolean
comment: Indicates whether the object is frozen (i.e., its position is fixed in time) or not. For example, frozen particles can be used in coarse-grained models to represent the system walls.

is physical
type: DatatypeProperty
sub property of: has flag
domain: variable
range: boolean
comment: Indicates whether a variable is a physical variable (i.e., an EMMO property) or not.

Network
type: Class
subclass of: Resource
subclass of: hardware infrastructure
subclass of: Restriction
  on property: hasParameter
  all values from: NetworkParameter
comment: network as a hardware infrastructure and PaaS resource (Network [= Resource [= PaaSCharacteristic)

NetworkParameter
type: Class
subclass of: logical variable
comment: network parameter 'of an offering' (here, specifically a Network) according to the PaaSPort ontology; taxonomically, NetworkParameter [= ResourceParameter [= NonFunctionalParameter [= MatchmakingParameter [= PaaSParameter

agent
type: Class
equivalent class: agent
subclass of: interpreter
subclass of: marketplace related entity
disjoint union of: agent group
disjoint union of: institution
disjoint union of: person
comment: agent, i.e., an entity that has (in principle) the potential of acting at a virtual marketplace, whether that capability is exercised or not

agent group
type: Class
subclass of: agent
comment: agent group, i.e., an agent that consists of multiple constituent agents, but not in an institutionalized form

annotation
type: Class
subclass of: marketplace related entity
subclass of: Symbolic
subclass of: Restriction
  on property:
    inverse of: hasPart
  some values from: Sign
disjoint with: paradigmatic entity
comment: annotation, i.e., a non-paradigmatic aspect of any entity covered by EVMPO or a subordinate marketplace-level or subdomain-specific ontology

assessment
type: Class
subclass of: paradigmatic entity
subclass of: Sign
disjoint with: material property
disjoint with: assertion
disjoint with: validation infrastructure
disjoint union of: requirement assessment
disjoint union of: accuracy assessment
disjoint union of: review assessment
disjoint union of: agent assessment
disjoint union of: data item assessment
disjoint union of: document assessment
disjoint union of: event assessment
disjoint union of: infrastructure assessment
disjoint union of: meta assessment
disjoint union of: model assessment
disjoint union of: project assessment
disjoint union of: service assessment
disjoint union of: workflow assessment
comment: assessment, i.e., proposition on accuracy or performance of an entity or on somebody's trust in an entity

business process
type: Class
subclass of: model
subclass of: process
subclass of: Restriction
  on property:
    inverse of: hasModel
  some values from: Process
comment: business process, i.e., a process-level description of business activities

calendar event
type: Class
equivalent class: Vevent
subclass of: paradigmatic entity
subclass of: Sign
subclass of: Restriction
  on property:
    inverse of: hasSign
  some values from: Process
type: NamedIndividual
comment: calendar_event, i.e., a meeting or activity which is scheduled or can be scheduled, equivalent to Vevent (labelled Event) from ICALTZD

communication
type: Class
subclass of: paradigmatic entity
subclass of: Symbolic
subclass of: Restriction
  on property: has author
  some values from: agent
disjoint union of: appendix
disjoint union of: message
comment: communication, i.e., a statement or collection of statements that is communicated by a stakeholder on a (communication) channel

computational process
type: Class
subclass of: physical process
comment: computational process, i.e., a process by software is executed on hardware, and by which data may be generated or altered

data infrastructure
type: Class
subclass of: infrastructure
subclass of: computational resource
comment: data infrastructure, i.e., any infrastructure concerning material property data/metadata, model (parameter) data/metadata, or similar repositories and databases

data item
type: Class
subclass of: information content entity
comment: data item as characterized by the IAO

data provider
type: Class
subclass of: agent
subclass of: interlocutor
subclass of: Restriction
  on property: is conceptualized by
  has value: Data provider
comment: a data provider

declaration
type: Class
equivalent class: Class
  intersection of: message
  intersection of: Restriction
    on property: has recipient
    cardinality: 0
subclass of: communication
subclass of: message
comment: declaration, i.e., a communication message that is submitted without a recipient
comment: declaration, i.e., a message without recipient

document
type: Class
subclass of: information content entity
comment: document as characterized by the IAO

end user
type: Class
subclass of: agent
subclass of: interlocutor
subclass of: Restriction
  on property: is conceptualized by
  has value: End user
comment: an end user

endorsement assessment
type: Class
subclass of: assessment
comment: endorsement_assessment, i.e., an assessment (proposition) by which an entity is claimed to be good or fit for a certain purpose

expert
type: Class
subclass of: human agent
comment: expert, i.e., a human agent who can provide competencies and expertise

good
type: Class
subclass of: product
subclass of: Engineered
comment: material object that is marketed as a good

hardware infrastructure
type: Class
subclass of: infrastructure
subclass of: computational resource
comment: hardware infrastructure, i.e., infrastructure concerning hardware resources

human agent
type: Class
equivalent class: human agent
subclass of: agent
disjoint with: certifying resource
comment: human agent, i.e., a single human being whose identity is disclosed and who has the potential/ability to act at a virtual marketplace

information content entity
type: Class
subclass of: marketplace related entity
subclass of: paradigmatic entity
subclass of: Symbolic
comment: information_content_entity, i.e., an information content entity as characterized by the IAO

infrastructure
type: Class
subclass of: Resource
subclass of: paradigmatic entity
subclass of: Engineered
comment: infrastructure, i.e., an entity representing marketplace infrastructure such as hardware, a repository, or software

institution
type: Class
equivalent class: institution
subclass of: agent
comment: institution, i.e., any permanent association, organization, office, or comparable entity that has the capability of acting at a virtual marketplace

interlocution
type: Class
equivalent class: Class
  intersection of: message
  intersection of: Restriction
    on property: has recipient
    some values from: agent
subclass of: communication
subclass of: message
comment: interlocution, i.e., a communication message that is submitted to one or multiple recipients
comment: interlocution, i.e., a message that has at least one recipient

interpreter
type: Class
equivalent class: Interpreter
subclass of: paradigmatic entity
type: NamedIndividual
comment: interpreter, i.e., an interpreter as defined by the EMMO

legal document
type: Class
subclass of: document
subclass of: information content entity
comment: any document (e.g., a contract or a quotation) related to legal issues

manufacturing process
type: Class
subclass of: physical process
comment: manufacturing process, i.e., a physical process that serves the production of a good

material
type: Class
equivalent class: Material
subclass of: paradigmatic entity
type: NamedIndividual
comment: material, i.e., a material as characterized by the EMMO

material property
type: Class
subclass of: property
subclass of: logical variable
subclass of: Restriction
  on property:
    inverse of: hasProperty
  some values from: Material
disjoint with: assertion
disjoint with: validation infrastructure
disjoint with: validation statement
comment: material property, i.e., a property associated with a material
comment: thermodynamic or mechanical behaviour of a material (referring either to the real material itself or a model thereof)

model
type: Class
equivalent class: Model
subclass of: paradigmatic entity
disjoint with: simulation
type: NamedIndividual
comment: model, i.e., a model as characterized by the EMMO

model provider
type: Class
subclass of: agent
subclass of: interlocutor
subclass of: Restriction
  on property: is conceptualized by
  has value: Model provider
comment: a model provider

paradigmatic entity
type: Class
subclass of: marketplace related entity
comment: entity the definition, characterization, processing, or handling of which contitutes an element of the paradigm under which virtual marketplaces for materials models exist; defined below, by agreement between VIMMP, MarketPlace, and EMMO developers, as any of the following categories: (1) assessment, (2) calendar_event, (3) communication, (4) information_content_entity, (5) infrastructure, (6) interpreter, (7) material, (8) model, (9) process, (10) product, (11) property

physical process
type: Class
equivalent class: Process
subclass of: process
type: NamedIndividual
comment: physical process, i.e., a process in the sense of the EMMO

physical process property
type: Class
subclass of: property
comment: physical process property, i.e., a property associated with a physical process

process
type: Class
subclass of: marketplace related entity
subclass of: paradigmatic entity
subclass of: Physical
subclass of: Class
  union of: Model
  union of: Process
comment: process, i.e., the temporal evolution of one or multiple entities

product
type: Class
subclass of: paradigmatic entity
subclass of: Physical
subclass of: Class
  union of: Engineered
  union of: Sign
comment: product, i.e., a good or service which can be offered either on a virtual marketplace or off-site

property
type: Class
equivalent class: Property
subclass of: paradigmatic entity
type: NamedIndividual
comment: property, i.e., a property as characterized by the EMMO

requirement assessment
type: Class
subclass of: assessment
subclass of: Class
  union of: event assessment
  union of: infrastructure assessment
  union of: model assessment
  union of: project assessment
  union of: workflow assessment
disjoint with: agent assessment
disjoint with: data item assessment
disjoint with: meta assessment
disjoint with: service assessment
disjoint union of: computational space requirement
disjoint union of: computational time requirement
disjoint union of: other requirement assessment
comment: requirement_assessment, i.e., an assessment (proposition) concerning computational requirements (computing time, memory, other hardware, software, and data prerequisites) for an infrastructure or a simulation workflow

service
type: Class
subclass of: product
subclass of: Sign
subclass of: Restriction
  on property:
    inverse of: hasSign
  some values from: Process
comment: activity or (fully or partially) immaterial object that is marketed as a service

simulation
type: Class
subclass of: computational process
subclass of: process
subclass of: Semiosis
comment: simulation, i.e., a simulation workflow (including a single simulation as special case)

software infrastructure
type: Class
subclass of: infrastructure
subclass of: marketplace related entity
subclass of: computational resource
comment: software infrastructure, i.e., infrastructure concerning software, licensing, etc.

software owner
type: Class
subclass of: agent
subclass of: interlocutor
subclass of: Restriction
  on property: is conceptualized by
  has value: Software owner
comment: a software owner

stakeholder
type: Class
equivalent class: Class
  intersection of: agent
  intersection of: Restriction
    on property: acts at
    some values from: digital marketplace
subclass of: agent
comment: stakeholder, i.e., an agent that acts at one or multiple virtual marketplaces

statement
type: Class
equivalent class: Class
  intersection of: communication
  intersection of: Restriction
    on property: contains
    cardinality: 0
subclass of: communication
comment: statement, i.e., an elementary communication that cannot be further decomposed into multiple statements

tradeable object
type: Class
subclass of: service
comment: any service that can be traded on a virtual marketplace

training document
type: Class
subclass of: document
subclass of: information content entity
comment: any document (e.g., manual, textbook, video, or collection of slides) that can help at acquiring competencies

training event
type: Class
equivalent class: Event
subclass of: calendar event
comment: event at which training activities occur, equivalent to Event from CCSO

training provider
type: Class
subclass of: agent
subclass of: interlocutor
subclass of: Restriction
  on property: is conceptualized by
  has value: Training provider
comment: entity that can be accessed to acquire/develop competencies in the field of materials modelling and simulation

translator
type: Class
subclass of: agent
subclass of: interlocutor
subclass of: Restriction
  on property: is conceptualized by
  has value: Translator
comment: a translator
comment: translator as characterized by the EMMC Translators' Guide and the EMMC Translation Case Template

validity assessment
type: Class
subclass of: assessment
comment: validity_assessment, i.e., an assessment (proposition) quantifying the uncertainty or error of a model, a simulation workflow, an experimental data point or any other quantitative datum or collection thereof

Array
type: Class
equivalent class: logical array
subclass of: Variable
type: NamedIndividual

AtomisticModel
type: Class
subclass of: PhysicsBasedModel
type: NamedIndividual
comment: AtomisticModel, i.e., an atomistic PhysicsBasedModel following RoMM, MODA, and OSMO

Collection
type: Class
equivalent class: Class
  intersection of: EMMO
  intersection of: Restriction
    on property: hasMember
    some values from: Item
subclass of: EMMO
type: NamedIndividual
comment: Collection, i.e., an unconnected 4D object; a Collection has Items (connected components) as members

Composition
type: Class
subclass of: Symbolic
subclass of: Restriction
  on property: hasSpatialPart
  some values from: Symbolic
type: NamedIndividual
comment: Composition, i.e., a Symbolic object composed of other Symbolic objects that are arranged in a specific spatial configuration

Constant
type: Class
subclass of: Variable
type: NamedIndividual
comment: Constant, i.e., a Variable that stands for a well-known constant; n.b., following the EMMO definition, the value must be 'well-known' - the included example is pi = 3.1415 ... other Variables with fixed values that are not 'well-known' must be classified as Parameters

ContinuumModel
type: Class
subclass of: PhysicsBasedModel
type: NamedIndividual
comment: ContinuumModel, i.e., a continuum PhysicsBasedModel following RoMM, MODA, and OSMO

Conventional
type: Class
subclass of: Sign
type: NamedIndividual
comment: Conventional, i.e., a Sign that represents an Object by convention

DataBasedModel
type: Class
subclass of: MathematicalModel
type: NamedIndividual
comment: DataBasedModel, i.e., an empirical data-driven MathematicalModel that is not based on a physical equation

EMMO
type: Class
equivalent class: Restriction
  on property:
    inverse of: hasPart
  has value: Universe
subclass of: meta emmo
subclass of: immanent entity
disjoint with: transcendent entity
disjoint union of: Collection
disjoint union of: Item
type: NamedIndividual
comment: EMMO entity, i.e., a 4D spatiotemporal thing

ElectronicModel
type: Class
subclass of: PhysicsBasedModel
type: NamedIndividual
comment: ElectronicModel, i.e., an electronic PhysicsBasedModel following RoMM, MODA, and OSMO

Engineered
type: Class
subclass of: Physical
type: NamedIndividual
comment: Engineered, i.e., a Physical object that has been manufactured for a particular purpose

Equation
type: Class
subclass of: Mathematical
subclass of: String
type: NamedIndividual
comment: Equation, i.e., a formula of the type 'f(...) = g(...)' where f and g are functions of Variables

Experiment
type: Class
subclass of: Observation
subclass of: Restriction
  on property: hasProperParticipant
  some values from: PhysicalPhenomenon
type: NamedIndividual
comment: Experiment, i.e., an Observation that is conducted with the intention of replicating a PhysicalPhenomenon in a controlled environment

Geometrical
type: Class
subclass of: Graphical
type: NamedIndividual
comment: Geometrical, i.e., a graphical entity that expresses a (non-4D) geometrical object; n.b., these are not Signs according to the EMMO, since non-4D geometrical objects cannot be EMMO individuals

Graphical
type: Class
subclass of: Perceptual
type: NamedIndividual
comment: Graphical, i.e., a writing, drawing, painting, or similar

Icon
type: Class
subclass of: Sign
type: NamedIndividual
comment: Icon, i.e., a Sign that represents an Object by similarity

Index
type: Class
subclass of: Sign
type: NamedIndividual
comment: Index, i.e., a Sign that represents an Object by indication, due to causal contiguity (like smoke signifies fire, or like my facial expression represents my emotional status)

Inequality
type: Class
subclass of: Mathematical
subclass of: String
type: NamedIndividual
comment: Equation, i.e., a formula of the type 'f(...) O g(...)' where f and g are Expressions, namely, functions of Variables, and O is one of the appropriate operators (i.e., /=, <, <=, >, and >=)

Interpretant
type: Class
subclass of: Sign
type: NamedIndividual
comment: Interpretant, i.e., the Interpreter's internal representation of the Object in a Semiosis process (n.b., this definition from the EMMO is not necessarily 1:1 identical with Peirce's definition of the interpretant)

Interpreter
type: Class
subclass of: Semiotic
subclass of: Restriction
  on property: hasSpatialPart
  some values from: Interpretant
type: NamedIndividual
comment: Interpreter, i.e., a Semiotic Participant that actively creates the connection between the Sign, the Object, and the Interpretant in a Semiosis Process

Item
type: Class
subclass of: EMMO
disjoint union of: Physical
disjoint union of: Void
type: NamedIndividual
comment: Item, i.e., a connected component - between any two parts there is a path of connections

Language
type: Class
subclass of: Symbolic
type: NamedIndividual
comment: Language, i.e., a formal language, defined by syntactic rules

Material
type: Class
subclass of: Physical
type: NamedIndividual
comment: Material, i.e., a Physical object that is part of 'a more comprehensive real-world object'

MaterialRelation
type: Class
equivalent class: materials relation
subclass of: Equation
subclass of: Restriction
  on property: hasSpatialPart
  some values from: PhysicalQuantity
type: NamedIndividual
comment: MaterialRelation, i.e., a materials relation (MR) as defined by RoMM, MODA, and OSMO

Mathematical
type: Class
subclass of: WellFormedSymbolic
type: NamedIndividual
comment: Mathematical, i.e., a WellFormedSymbolic term (word) that respects the rules of mathematical syntax

MathematicalModel
type: Class
equivalent class: Class
  intersection of: Mathematical
  intersection of: Model
subclass of: Mathematical
subclass of: Model
type: NamedIndividual
comment: class defined by intersection of Model and Mathematical

Matrix
type: Class
subclass of: Array
type: NamedIndividual

Measurement
type: Class
subclass of: Observation
type: NamedIndividual
comment: Measurement, i.e., an Observation by which a Property of an Object is determined by comparison to a standard reference

MeasurementUnit
type: Class
subclass of: Mathematical
subclass of: ReferenceUnit
type: NamedIndividual
comment: MeasurementUnit, i.e., a Mathematical ReferenceUnit that stands for the standard reference magnitude of a specific class of measurement processes, defined and adopted by convention or by law

MesoscopicModel
type: Class
subclass of: PhysicsBasedModel
type: NamedIndividual
comment: MesoscopicModel, i.e., a mesoscopic PhysicsBasedModel following RoMM, MODA, and OSMO

Model
type: Class
subclass of: Icon
subclass of: Restriction
  on property:
    inverse of: hasModel
  some values from: Object
type: NamedIndividual
comment: Model, i.e., an Icon that provides a simplified representation of a Physical Object that is suitable for predicting its behaviour, e.g., by simulation

Number
type: Class
subclass of: Numerical
subclass of: Symbol
type: NamedIndividual
comment: n.b., a Number is defined to be a Symbol (rather than just a Symbolic)

Numerical
type: Class
subclass of: Mathematical
type: NamedIndividual
comment: Numerical, i.e., either a scalar number or a composite numerical data structure

Object
type: Class
subclass of: Semiotic
type: NamedIndividual
comment: Object, i.e., a Semiotic Participant to which the Interpreter refers, using a Sign

ObjectiveProperty
type: Class
subclass of: Property
type: NamedIndividual
comment: ObjectiveProperty, i.e., a Property that is determined by a well-defined Observation procedure through a specific perception channel

Observation
type: Class
subclass of: Semiosis
subclass of: Restriction
  on property: hasProperParticipant
  some values from: Observer
subclass of: Restriction
  on property: hasProperParticipant
  some values from: Property
type: NamedIndividual
comment: Observation, i.e., a Semiosis Process by which an Observer determines a Property of an Object

Observer
type: Class
subclass of: Interpreter
subclass of: Restriction
  on property:
    inverse of: hasProperParticipant
  some values from: Observation
type: NamedIndividual
comment: Observer, i.e., an Interpreter that observes an Object through a specific perception mechanism to determine a Property by Observation

Parameter
type: Class
subclass of: Variable
type: NamedIndividual
comment: Parameter, i.e., a Variable with a value that is assumed to be known independently from any Equation that is being solved (e.g., viscosity in the Navier-Stokes equation)

Participant
type: Class
equivalent class: Class
  intersection of: Physical
  intersection of: Restriction
    on property:
      inverse of: hasParticipant
    some values from: Process
subclass of: Physical
type: NamedIndividual
comment: Participant, i.e., a Physical entity that participates (with a specific role) in a Process

Perceptual
type: Class
subclass of: Physical
type: NamedIndividual
comment: Perceptual, i.e., a Physical entity that is 'recognizable by an Interpreter'

Physical
type: Class
subclass of: Item
subclass of: Restriction
  on property: hasTemporalPart
  all values from: Physical
type: NamedIndividual
comment: Physical, i.e., an Item that is not Void

PhysicalPhenomenon
type: Class
subclass of: Process
type: NamedIndividual
comment: PhysicalPhenomenon, i.e., a Process that 'for the ontologist' carries a meaning related to physics

PhysicalQuantity
type: Class
subclass of: Mathematical
subclass of: Quantity
type: NamedIndividual

PhysicsBasedModel
type: Class
subclass of: MathematicalModel
subclass of: Restriction
  on property: hasSpatialPart
  some values from: MaterialRelation
subclass of: Restriction
  on property: hasSpatialPart
  some values from: PhysicsEquation
type: NamedIndividual
comment: PhysicsBasedModel, i.e., a mathematical model that is based on a physical equation (PE) and one or multiple materials relations (MR) as governing equations, following RoMM, MODA, and OSMO

PhysicsEquation
type: Class
subclass of: Equation
subclass of: Restriction
  on property: hasSpatialPart
  some values from: PhysicalQuantity
type: NamedIndividual
comment: PhysicsEquation, i.e., a physical equation, e.g., belonging to any of the 25 physical equation types specified by OSMO on the basis of RoMM

Process
type: Class
subclass of: Physical
type: NamedIndividual
comment: Process, i.e., a Physical entity with a temporal evolution that 'has a meaning for the ontologist'

Property
type: Class
subclass of: Conventional
subclass of: Restriction
  on property:
    inverse of: hasProperParticipant
  some values from: Observation
subclass of: Restriction
  on property:
    inverse of: hasProperty
  some values from: Object
disjoint union of: ObjectiveProperty
disjoint union of: SubjectiveProperty
type: NamedIndividual
comment: Property, i.e., a Conventional (Sign) that participates in an Observation Process

QuantitativeProperty
type: Class
subclass of: ObjectiveProperty
type: NamedIndividual
comment: QuantitativeProperty, i.e., an ObjectiveProperty that can be quantified with respect to a standardized reference physical instance or method

Quantity
type: Class
subclass of: WellFormedSymbolic
subclass of: Restriction
  on property: hasQuantityValue
  cardinality: 1
subclass of: Restriction
  on property: hasReferenceUnit
  cardinality: 1
type: NamedIndividual

ReferenceUnit
type: Class
equivalent class: unit
subclass of: WellFormedSymbolic
type: NamedIndividual

Semiosis
type: Class
subclass of: Process
subclass of: Restriction
  on property: hasProperParticipant
  some values from: Interpreter
subclass of: Restriction
  on property: hasProperParticipant
  some values from: Object
subclass of: Restriction
  on property: hasProperParticipant
  some values from: Sign
type: NamedIndividual
comment: Semiosis, i.e., a Process that constitutes meaning by participation of an Interpreter, a Sign, and an Object

Semiotic
type: Class
equivalent class: Class
  union of: Interpreter
  union of: Object
  union of: Sign
subclass of: Participant
subclass of: Restriction
  on property:
    inverse of: hasProperParticipant
  some values from: Semiosis
type: NamedIndividual
comment: Semiotic, i.e., a Participant that fulfills one of the constitutive roles in a Semiosis, i.e., that of the Interpreter, Sign, or Object

Sign
type: Class
equivalent class: Class
  union of: Conventional
  union of: Icon
  union of: Index
subclass of: Perceptual
subclass of: Semiotic
type: NamedIndividual
comment: Sign, i.e., a Semiotic Participant that represents (signifies) an Object within a Semiosis Process

String
type: Class
subclass of: Symbolic
subclass of: Restriction
  on property: hasSpatialPart
  some values from: Symbol
type: NamedIndividual
commit: String, i.e., a (linear) sequence of Symbols

SubjectiveProperty
type: Class
subclass of: Property
type: NamedIndividual
comment: SubjectiveProperty, i.e., a Property that is not an ObjectiveProperty - it is not determined by a well-defined Observation procedure

Symbol
type: Class
subclass of: Symbolic
disjoint with: Restriction
  on property: hasProperPart
  some values from: Symbol
type: NamedIndividual
comment: Symbol, i.e., the element of an alphabet (or a 'symbol of a formal language'); being elementary, it does not contain any Symbol as a proper part

Symbolic
type: Class
subclass of: Graphical
type: NamedIndividual
comment: Symbolic, i.e., a graphical combination or arrangement ultimately based on 'tokens' (presumably, 'token' here means Symbol)

Theory
type: Class
subclass of: Conventional
type: NamedIndividual
comment: Theory, i.e., a Conventional that can represent a Physical, and more specifically (rdfs:comment from EMMO), 'whose sub-symbols suggest in the mind of the interpreter an interpretant structure that can represent a physical'

Unknown
type: Class
subclass of: Variable
type: NamedIndividual
comment: Unknown, i.e., a Variable for which a value is not given or assumed to be known; e.g., any Variable for which an Equation is being solved is an Unknown in the context of this Equation

Variable
type: Class
equivalent class: logical variable
subclass of: Conventional
subclass of: Mathematical
subclass of: Restriction
  on property:
    inverse of: hasVariable
  some values from: Mathematical
type: NamedIndividual
comment: Variable, i.e., a Mathematical Symbolic that, by convention, stands for a numerically defined mathematical object (n.b., a Number is a Symbol, whereas a Variable is only a Symbolic)

Vector
type: Class
subclass of: Array
type: NamedIndividual

Void
type: Class
equivalent class: Class
  intersection of: EMMO
  intersection of: Restriction
    on property: hasPart
    all values from: Void
subclass of: Item
disjoint with: Restriction
  on property: hasPart
  some values from: Physical
type: NamedIndividual
comment: Void, i.e., an Item that does not have any Physical parts (all of its parts are Void)

WellFormedSymbolic
type: Class
subclass of: Symbolic
type: NamedIndividual
comment: WellFormedSymbolic, i.e., a Symbolic that respects the syntactic rules of a formal language

meta emmo
type: Class
equivalent class: top entity
subclass of: NamedIndividual
disjoint union of: EMMO
disjoint union of: non emmo
type: NamedIndividual
comment: this class contains EMMO entities as well as non-spacetime entities that are not covered by the EMMO

non emmo
type: Class
subclass of: meta emmo
comment: any non-spacetime entities (hence, not covered by the EMMO) are to be subsumed under this class

codelist interlocutor group
type: Class
equivalent class: interlocutor group
equivalent class: Restriction
  on property: inScheme
  has value: interlocutor_group
subclass of: annotation
subclass of: conceptualization
comment: interlocutor group

codelist license
type: Class
equivalent class: license
equivalent class: Restriction
  on property: inScheme
  has value: license
subclass of: legal document
comment: license

codelist mm topic
type: Class
equivalent class: mm topic
equivalent class: Restriction
  on property: inScheme
  has value: mm_topic
subclass of: marketplace related entity
subclass of: conceptualization
comment: materials modelling topic

codelist operator level
type: Class
equivalent class: operator level
equivalent class: Restriction
  on property: inScheme
  has value: Operator level
subclass of: annotation
comment: Operator level (i.e., competency level)

codelist pe type
type: Class
equivalent class: physical equation type
equivalent class: Restriction
  on property: inScheme
  has value: Physical Equation (PE) type
subclass of: annotation
comment: Physical Equation (PE) type

codelist programming language
type: Class
equivalent class: programming language
equivalent class: Restriction
  on property: inScheme
  has value: programming_language
subclass of: annotation
comment: programming language

codelist project size
type: Class
equivalent class: project size
equivalent class: Restriction
  on property: inScheme
  has value: Project size
subclass of: annotation
comment: Project size

conceptualization
type: Class
subclass of: Sign
subclass of: immanent entity
type: NamedIndividual
comment: If an individual is a conceptualization, i.e., 'represents a concept as such,' where :x would be the concept, state :X a viprs:conceptualization. :x rdfs:subClassOf [owl:restriction; owl:onProperty viprs:is_conceptualized_by; owl:hasValue :X]. For all individuals :Y of :x, then :X viprs:conceptualizes :Y. Beside, :X conceptualizes all the narrower conceptualizations.

factual entity
type: Class
equivalent class: Class
  intersection of: immanent entity
  intersection of: Restriction
    on property: occurs in
    has value: FACTUAL
subclass of: possible entity
comment: factual entity, i.e., an entity that occurs in fact

fictional entity
type: Class
subclass of: non necessary entity
disjoint with: Restriction
  on property: occurs in
  has value: FACTUAL
comment: fictional_entity entity, i.e., an entity that, in fact, does not occur

immanent entity
type: Class
subclass of: top entity
disjoint with: transcendent entity
disjoint union of: factual entity
disjoint union of: fictional entity
disjoint union of: impossible entity
disjoint union of: possible entity
disjoint union of: necessary entity
disjoint union of: non necessary entity
comment: immanent entity, i.e., something that may or may not occur within a realization

impossible entity
type: Class
equivalent class: Class
  intersection of: immanent entity
  intersection of: Restriction
    on property: occurs in
    cardinality: 0
subclass of: non necessary entity
comment: impossible entity, i.e., an entity that does not occur in any realization

necessary entity
type: Class
equivalent class: Class
  intersection of: immanent entity
  intersection of: Restriction
    on property: does not occur in
    cardinality: 0
subclass of: possible entity
comment: necessary entity, i.e., an entity that occurs in every realization

non necessary entity
type: Class
equivalent class: Class
  intersection of: immanent entity
  intersection of: Restriction
    on property: does not occur in
    some values from: realization
subclass of: immanent entity
comment: non-necessary entity, i.e., an entity that does not occur in all realizations

possible entity
type: Class
equivalent class: Class
  intersection of: immanent entity
  intersection of: Restriction
    on property: occurs in
    some values from: realization
subclass of: immanent entity
comment: possible entity, i.e., an entity that occurs in at least one realization

realization
type: Class
subclass of: transcendent entity
comment: realization, i.e., a scenario, possible world, or environment

transcendent entity
type: Class
subclass of: top entity
comment: transcendent entity, i.e., a non-immanent entity (e.g., a realization)

binary file format
type: Class
subclass of: file format
type: NamedIndividual
comment: binary file format, i.e., any file format not encoded in ASCII, Unicode, or comparable

channel
type: Class
subclass of: data infrastructure
subclass of: process
subclass of: Process
subclass of: computational resource
subclass of: Restriction
  on property: hasPart
  some values from: Semiosis
disjoint union of: bidirectional channel
disjoint union of: unidirectional channel
comment: channel (for communication), i.e., a data infrastructure in which communication processes (semioses) occur

computational resource
type: Class
equivalent class: Class
  union of: data infrastructure
  union of: hardware infrastructure
  union of: software infrastructure
subclass of: infrastructure
comment: computational resource, i.e., an infrastructure that can be accessed by means of data, hardware, or software related services

cr service
type: Class
equivalent class: Class
  intersection of: infrastructure service
  intersection of: Restriction
    on property: provides access to
    some values from: computational resource
subclass of: infrastructure service
comment: computational resource service, i.e., an infrastructure service providing access to (or use of) a computational resource

file format
type: Class
subclass of: io format
disjoint union of: binary file format
disjoint union of: textual file format
type: NamedIndividual
comment: file format, i.e., a syntactical standard for files

force field format
type: Class
subclass of: materials relation format
disjoint with: Restriction
  on property: has granularity
  has value: ATOMISTIC
disjoint with: Restriction
  on property: has granularity
  has value: CONTINUUM
comment: force field format, i.e., a format representing an atomistic or mesoscopic materials relation (force field)

hpc job data locator
type: Class
subclass of: unique elementary
comment: HPC job data locator, i.e., URL or file name of the batch script and/or other data pertaining to an HPC job

hpc job id
type: Class
subclass of: unique elementary
comment: HPC job ID, i.e., a unique elementary logical variable containing the ID from the scheduler

hpc job name
type: Class
subclass of: unique elementary
comment: HPC job name, i.e., a unique elementary logical variable containing the name of a job submitted to the scheduler

hpc job parameters
type: Class
subclass of: logical structure
subclass of: Restriction
  on property: has job id
  cardinality: 1
subclass of: Restriction
  on property: has job name
  cardinality: 1
comment: HPC job parameters, i.e., a logical structure containing a name, a numerical ID, and possible additional elements such as a locator or file name of the submitted batch script

hpc scheduler
type: Class
subclass of: hpc service
comment: a scheduling/queueing service on an HPC infrastructure, e.g. following the IEEE 1003.1-2008 standard, providing access to that HPC infrastructure

image format
type: Class
subclass of: file format
type: NamedIndividual
comment: format for representing images/graphics

infrastructure service
type: Class
subclass of: Service
subclass of: service
subclass of: Restriction
  on property: mereosemiotics is hp
  some values from: Engineered
subclass of: Restriction
  on property: provides access to
  some values from: infrastructure
comment: infrastructure service, i.e., a service providing access to (or use of) an infrastructure

io format
type: Class
equivalent class: Class
  union of: file format
  union of: stream format
subclass of: annotation
subclass of: Conventional
subclass of: Language
comment: I/O format, i.e., syntactical convention to which a technical I/O implementation can adhere

materials modelling format
type: Class
subclass of: io format
comment: materials modelling format, i.e., an I/O format that represents entities occurring within a model, solver, processor, or workflow in materials modelling

materials relation format
type: Class
subclass of: materials modelling format
comment: materials relation format, i.e., an I/O format that encodes a materials relation or part of a materials relation

model database
type: Class
subclass of: model provider
subclass of: repository
comment: model database, i.e., a repository that can act as a model provider

png format
type: Class
subclass of: binary file format
subclass of: image format
subclass of: Restriction
  on property: has file ending
  has value: png
subclass of: Restriction
  on property: has format abbreviation
  has value: PNG
subclass of: Restriction
  on property: has format name
  has value: portable network graphics
type: NamedIndividual
comment: PNG graphics format

quesp in format
type: Class
subclass of: solver parameter format
subclass of: textual file format
subclass of: Restriction
  on property: has granularity
  has value: ELECTRONIC
subclass of: Restriction
  on property: has file ending
  has value: in
subclass of: Restriction
  on property: has format abbreviation
  has value: IN (Quantum Espresso)
subclass of: Restriction
  on property: has format name
  has value: Quantum Espresso parameter format
comment: Quantum Espresso parameter format

quesp out format
type: Class
subclass of: materials modelling format
subclass of: textual file format
subclass of: Restriction
  on property: has granularity
  has value: ELECTRONIC
subclass of: Restriction
  on property: has file ending
  has value: out
subclass of: Restriction
  on property: has format abbreviation
  has value: OUT (Quantum Espresso)
subclass of: Restriction
  on property: has format name
  has value: Quantum Espresso output format
comment: Quantum Espresso output format

quesp upf format
type: Class
subclass of: materials relation format
subclass of: textual file format
subclass of: Restriction
  on property: has granularity
  has value: ELECTRONIC
subclass of: Restriction
  on property: has file ending
  has value: upf
subclass of: Restriction
  on property: has format abbreviation
  has value: UPF
subclass of: Restriction
  on property: has format name
  has value: unified pseudopotential format
comment: Quantum Espresso pseudopotential format

solver parameter format
type: Class
subclass of: materials modelling format
comment: solver parameter format, i.e., an I/O format that is used to steer or parameterize a solver

starccm plus sim format
type: Class
subclass of: binary file format
subclass of: materials modelling format
subclass of: Restriction
  on property: has granularity
  has value: CONTINUUM
subclass of: Restriction
  on property: has file ending
  has value: sim
subclass of: Restriction
  on property: has format abbreviation
  has value: SIM (StarCCM+)
subclass of: Restriction
  on property: has format name
  has value: StarCCM+ simulation output format
comment: StarCCM+ simulation output format

stream format
type: Class
subclass of: io format
comment: stream format, i.e., a syntactical standard for streams

textual csv format
type: Class
subclass of: textual file format
subclass of: Restriction
  on property: has file ending
  has value: csv
subclass of: Restriction
  on property: has format abbreviation
  has value: CSV
type: NamedIndividual
comment: CSV format, i.e., comma-separated values (table-like)

textual file format
type: Class
subclass of: file format
type: NamedIndividual
comment: textual file format, i.e., any file format encoded in ASCII, Unicode, or comparable

textual xml format
type: Class
subclass of: format 2332
subclass of: textual file format
subclass of: Restriction
  on property: has file ending
  has value: xml
subclass of: Restriction
  on property: has format abbreviation
  has value: XML
comment: textual XML format, i.e., an XML-based textual file format

vocta data format
type: Class
subclass of: force field format
subclass of: textual file format
subclass of: Restriction
  on property: has granularity
  has value: MESOSCOPIC
subclass of: Restriction
  on property: has file ending
  has value: data
subclass of: Restriction
  on property: has format abbreviation
  has value: VOCTA
subclass of: Restriction
  on property: has format name
  has value: VOCTA potential/force format
comment: VOCTA potential/force format

acceptance statement
type: Class
subclass of: decision statement
comment: acceptance statement, i.e., a decision statement by which a solution statement is accepted, so that a materials modelling project can begin

bc aspect
type: Class
subclass of: application case aspect
disjoint with: business case
disjoint with: business decision support system
disjoint union of: bca context
disjoint union of: bca contribution to benefit
disjoint union of: bca contribution to cost
disjoint union of: bca currency
disjoint union of: bca decision support
disjoint union of: bca description
disjoint union of: bca industrial case
disjoint union of: bca red zone
disjoint union of: bca return on investment
disjoint union of: bca total benefit
disjoint union of: bca total cost
comment: business-case aspect

bca context
type: Class
subclass of: bc aspect
subclass of: Restriction
  on property: has aspect text content
  some values from: string
comment: information on the context of the BC (in text form); e.g., on revenue streams, market competitors, distribution channels, market shares, maximum time to solution, risk management, open/closed innovation, etc.

bca contribution to benefit
type: Class
subclass of: bc aspect
subclass of: Restriction
  on property: has aspect scalar content
  some values from: decimal
subclass of: Restriction
  on property: has aspect text content
  some values from: string
comment: information on a contribution to end-user benefit (text explanation to be provided as text content, magnitude in budgeting currency to be provided as scalar content)

bca contribution to cost
type: Class
subclass of: bc aspect
subclass of: Restriction
  on property: has aspect scalar content
  some values from: decimal
subclass of: Restriction
  on property: has aspect text content
  some values from: string
comment: information on a contribution to end-user cost (text explanation to be provided as text content, magnitude in budgeting currency to be provided as scalar content)

bca currency
type: Class
subclass of: bc aspect
subclass of: Restriction
  on property: has aspect object content
  some values from: Currency
comment: information on the budgeting currency

bca decision support
type: Class
subclass of: bc aspect
subclass of: application case decision support
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: business decision support system
comment: information on the business decision support system (BDSS)

bca description
type: Class
subclass of: bc aspect
subclass of: Restriction
  on property: has aspect text content
  some values from: string
comment: aspect containing an abstract or a rough description of the BC in text form

bca industrial case
type: Class
subclass of: bc aspect
subclass of: Restriction
  on property: has aspect annotation content
  some values from: industrial case
comment: information on an industrial case associated with the present BC

bca red zone
type: Class
subclass of: bc aspect
subclass of: Restriction
  on property: has aspect text content
  some values from: string
comment: information on a red zone, i.e., operational or social constraint (contained in text form)

bca return on investment
type: Class
subclass of: bc aspect
subclass of: Restriction
  on property: has aspect scalar content
  some values from: decimal
comment: information on the return on investment for the end user (to be provided as a xs:decimal value content)

bca total benefit
type: Class
subclass of: bc aspect
subclass of: Restriction
  on property: has aspect scalar content
  some values from: decimal
comment: information on the total end-user benefit (to be provided as a xs:decimal value content)

bca total cost
type: Class
subclass of: bc aspect
subclass of: Restriction
  on property: has aspect scalar content
  some values from: decimal
comment: information on the total end-user cost (to be provided as a xs:decimal value content)

business case
type: Class
subclass of: application case
disjoint with: business decision support system
comment: business case, i.e., an application case with a focus on economic/business aspects

business decision support system
type: Class
subclass of: application decision support system
comment: business decision support system (BDSS), i.e., a decision support system that occurs in a business case

closing statement
type: Class
subclass of: project statement
comment: closing statement, i.e., a project statement by which a materials modelling project is finalized

computational kpi
type: Class
subclass of: objective kpi
comment: computational KPI, i.e., an objective KPI that is determined computationally

decision statement
type: Class
subclass of: negotiation statement
disjoint union of: acceptance statement
disjoint union of: rejection statement
comment: decision statement, i.e., a negotiation statement by which an end user communicates a final decision on a proposed solution statement

ic aspect
type: Class
subclass of: application case aspect
disjoint with: industrial case
disjoint with: industrial decision support system
disjoint union of: ica constraints
disjoint union of: ica data access
disjoint union of: ica data source
disjoint union of: ica decision support
comment: industrial-case aspect

ica constraints
type: Class
subclass of: ic aspect
subclass of: Restriction
  on property: has aspect text content
  some values from: string
comment: information on the constraints that need to be taken into account (production capabilities, supply-chain issues, etc.)

ica data access
type: Class
subclass of: ic aspect
subclass of: Restriction
  on property: has aspect text content
  some values from: string
comment: information on the data access conditions (free or proprietary, who provides the data, etc.)

ica data source
type: Class
subclass of: ic aspect
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: Class
    union of: data infrastructure
    union of: information content entity
comment: information on the available data sources (documents, citations, databases, or similar)

ica decision support
type: Class
subclass of: ic aspect
subclass of: application case decision support
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: industrial decision support system
comment: information on the industrial decision support system (IDSS)

indicator
type: Class
equivalent class: Class
  intersection of: property
  intersection of: optimization objective
subclass of: property
subclass of: optimization objective
comment: indicator, i.e., a property (in the sense of the EVMPO) that can be employed as an optimization objective

industrial case
type: Class
subclass of: application case
disjoint with: industrial decision support system
comment: industrial case, i.e., an application case with a focus on industrial/manufacturing aspects

industrial decision support system
type: Class
subclass of: application decision support system
comment: industrial decision support system (IDSS), i.e., a decision support system that occurs in an industrial case

interest statement
type: Class
subclass of: negotiation statement
comment: interest statement, i.e., a negotiation statement by which a translator or model provider announces that he will propose a solution to a problem statement

key performance indicator
type: Class
subclass of: indicator
disjoint union of: objective kpi
disjoint union of: subjective kpi
comment: key performance indicator (KPI), i.e., an indicator associated with the performance of a product or process

kpi model
type: Class
subclass of: model
subclass of: condition
subclass of: Restriction
  on property:
    inverse of: hasModel
  some values from: Property
comment: KPI model, i.e., a condition, correlation, or other formalism containing a set of logical variables, which can but need not be KPIs or other indicators, by which a set of KPIs is represented (i.e., here: predicted, correlated, or modelled)

mm project
type: Class
subclass of: project
comment: materials modelling project, i.e., a project that aims at realizing a materials modelling workflow that can be represented by MODA/OSMO

modelling statement
type: Class
subclass of: translation statement
subclass of: Restriction
  on property: has object content
  some values from: workflow resource
disjoint union of: problem statement
disjoint union of: solution statement
comment: modelling statement, i.e., a translation statement that relates to a MODA graph and/or application/use case (following OSMO)

negotiation statement
type: Class
subclass of: interlocution
subclass of: translation statement
disjoint union of: decision statement
disjoint union of: interest statement
comment: negotiation statement, i.e., a translation statement that relates to negotiations on a materials modelling project

objective kpi
type: Class
subclass of: ObjectiveProperty
subclass of: indicator
subclass of: key performance indicator
comment: objective KPI, i.e., a KPI that can be determined by following a standard procedure and that does not depend substantially on subjective assessment by a human being

opening statement
type: Class
subclass of: project statement
comment: opening statement, i.e., a project statement by which a materials modelling project is initialized

problem statement
type: Class
subclass of: modelling statement
comment: problem statement, i.e., a MODA statement that discusses an application/use case from the user-side point of view, in terms of MODA section 1

project
type: Class
subclass of: process
comment: project, i.e., an undertaking of one or several stakeholders aiming at reaching a pre-specified objective within limited time

project statement
type: Class
subclass of: declaration
subclass of: translation statement
disjoint union of: closing statement
disjoint union of: opening statement
disjoint union of: status statement
comment: project statement, i.e., a translation statement that relates to an agreed materials modelling project

project step
type: Class
subclass of: process
comment: translation step as specified by the EMMO Translators Guide

rejection statement
type: Class
subclass of: decision statement
comment: acceptance statement, i.e., a decision statement by which a solution statement is rejected (not leading to a materials modelling project)

solution statement
type: Class
subclass of: modelling statement
subclass of: Restriction
  on property: has object content
  some values from: workflow graph
comment: solution statement, i.e., a MODA statement by which a modelling and simulation solution is provided in response to a problem statement

status statement
type: Class
subclass of: project statement
comment: status statement, i.e., a project statement by which the status of an ongoing materials modelling project is communicated

subjective kpi
type: Class
subclass of: SubjectiveProperty
subclass of: indicator
subclass of: key performance indicator
comment: subjective KPI, i.e., a KPI closely related to human sentience (which for this reason cannot be simply computed algorithmically or measured by a technical experimental process)

tc aspect
type: Class
subclass of: application case aspect
disjoint with: translation case
disjoint with: translation decision support system
disjoint union of: tca business case
disjoint union of: tca decision support
disjoint union of: tca discussion
disjoint union of: tca end user
disjoint union of: tca evaluation
disjoint union of: tca expected outcome
disjoint union of: tca impact
disjoint union of: tca industrial case
disjoint union of: tca kpi model
disjoint union of: tca pe type
disjoint union of: tca translator
comment: translation-case aspect

tca business case
type: Class
subclass of: tc aspect
subclass of: Restriction
  on property: has aspect annotation content
  some values from: business case
comment: information on the budget, etc., (i.e., business case), as included in the EMMC Translation Case Template

tca decision support
type: Class
subclass of: tc aspect
subclass of: application case decision support
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: translation decision support system
comment: information on the translation decision support system (TDSS)

tca discussion
type: Class
subclass of: tc aspect
subclass of: Restriction
  on property: has aspect text content
  some values from: string
comment: information on discussions related to establishing a translation solution, as included in the EMMC Translation Case Template: arguments to select the modelling approach; inventory and data quality assessment / dedicated experimental work / validation steps; discussions on model accuracy / necessary investments; description of how the client (i.e., end user) was involved

tca end user
type: Class
subclass of: tc aspect
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: end user
comment: information on the involved client (i.e., end user), as included in the EMMC Translation Case Template

tca evaluation
type: Class
subclass of: tc aspect
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: translation assessment
comment: information on evaluating the translation case (by means of an assessment from VIVO), as included in the EMMC Translation Case Template

tca expected outcome
type: Class
subclass of: tc aspect
subclass of: Restriction
  on property: has aspect text content
  some values from: string
comment: information on the expected outcome (text description), as included in the EMMC Translation Case Template

tca impact
type: Class
subclass of: tc aspect
subclass of: Restriction
  on property: has aspect text content
  some values from: string
comment: information on the impact of the translation case (i.e., client benefits as included in the EMMC Translation Case Template): How did the client use the results, and what were his benefits? (Text description.)

tca industrial case
type: Class
subclass of: tc aspect
subclass of: Restriction
  on property: has aspect annotation content
  some values from: industrial case
comment: information on the industrial problem (i.e., industrial case), as included in the EMMC Translation Case Template

tca kpi model
type: Class
subclass of: tc aspect
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: kpi model
comment: information on the employed KPI model(s)

tca pe type
type: Class
subclass of: tc aspect
subclass of: Restriction
  on property: has aspect annotation content
  some values from: physical equation type
comment: information on the model type (i.e., physical equation type), as included in the EMMC Translation Case Template

tca translator
type: Class
subclass of: tc aspect
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: translator
comment: information on the involved translator, as included in the EMMC Translation Case Template

technological kpi
type: Class
subclass of: objective kpi
comment: technological KPI, i.e., an objective KPI that is observed/measured within a technical or experimental process

translation case
type: Class
subclass of: application case
disjoint with: translation decision support system
comment: translation case, i.e., an application case that can be described as specified by the EMMC Translation Case Template

translation decision support system
type: Class
subclass of: application decision support system
comment: translation decision support system (TDSS), i.e., a decision support system that occurs in a translation case

translation statement
type: Class
equivalent class: Class
  intersection of: statement
  intersection of: translation communication
subclass of: statement
subclass of: translation communication
disjoint union of: modelling statement
disjoint union of: negotiation statement
disjoint union of: project statement
comment: translation statement, i.e., a EVMPO/VICO statement which, as its main feature or purpose, relates to translation

translation step
type: Class
equivalent class: Class
  union of: translation step bc
  union of: translation step data
  union of: translation step decision
  union of: translation step execution
  union of: translation step ic
  union of: translation step modelling
subclass of: project step
comment: translation step as specified by the EMMO Translators Guide

translation step bc
type: Class
equivalent class: Class
  intersection of: translation step
  intersection of: Restriction
    on property: has emmc guide no
    has value: 1
subclass of: translation step
comment: Translation step no. 1: Good understanding of the business case

translation step data
type: Class
equivalent class: Class
  intersection of: translation step
  intersection of: Restriction
    on property: has emmc guide no
    has value: 3
subclass of: translation step
comment: Translation step no. 3: Analysis of the experimental and modelling data available to the end user

translation step decision
type: Class
equivalent class: Class
  intersection of: translation step
  intersection of: Restriction
    on property: has emmc guide no
    has value: 6
subclass of: translation step
comment: Translation step no. 6: Evaluate the simulation results to facilitate an actionable decision

translation step execution
type: Class
equivalent class: Class
  intersection of: translation step
  intersection of: Restriction
    on property: has emmc guide no
    has value: 5
subclass of: translation step
comment: Translation step no. 5: Propose and agree on an execution and validation strategy

translation step ic
type: Class
equivalent class: Class
  intersection of: translation step
  intersection of: Restriction
    on property: has emmc guide no
    has value: 2
subclass of: translation step
comment: Translation step no. 2: Good understanding of the industrial case

translation step modelling
type: Class
equivalent class: Class
  intersection of: translation step
  intersection of: Restriction
    on property: has emmc guide no
    has value: 4
subclass of: translation step
comment: Translation step no. 4: Translation to simulation workflows (preferably more than one)

application case
type: Class
subclass of: annotation
subclass of: Sign
subclass of: section
disjoint union of: business case
disjoint union of: industrial case
disjoint union of: translation case
disjoint union of: use case
comment: application case, i.e., a scenario, point of view, or subjective or negotiated set of aims

application case aspect
type: Class
subclass of: section aspect
disjoint union of: bc aspect
disjoint union of: ic aspect
disjoint union of: tc aspect
disjoint union of: use case aspect
comment: application-case aspect (similar as in MODA or extensions of MODA)

application case decision support
type: Class
subclass of: application case aspect
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: application decision support system
comment: information on the decision support system

application decision support system
type: Class
subclass of: decision support system
comment: application decision support system, i.e., a decision support system that occurs in an application case

boundary condition
type: Class
subclass of: section aspect
subclass of: Restriction
  on property: has aspect object content
  some values from: condition
comment: boundary condition, i.e., any given information that needs to be taken into account

cas listed material
type: Class
equivalent class: Class
  intersection of: material
  intersection of: Restriction
    on property: has cas number
    some values from: string
subclass of: material
comment: CAS listed material, i.e., a material that has a Chemical Abstracts Service Registry Number (CASRN, or CAS number)

computational representation
type: Class
subclass of: solver aspect
subclass of: Restriction
  on property: has aspect object content
  some values from: condition
comment: solver computational representation (MODA subsection 3.4), characterizes/describes how the solver numerically represents the model and/or the material

computational representation hybrid
type: Class
subclass of: computational representation
comment: solver CR of the material, i.e., a computational representation that combines model and material (or use case) aspects

computational representation material
type: Class
subclass of: computational representation
comment: solver CR of the material, i.e., a computational representation of the considered use case or material

computational representation model
type: Class
subclass of: computational representation
comment: solver CR of the model, i.e., a computational representation of (all or part of) the governing equations of the employed materials model

computational representation mr
type: Class
subclass of: computational representation model
comment: solver CR of MR, i.e., a computational representation specifically of one or multiple materials relations (MR)

computational representation pe
type: Class
subclass of: computational representation model
comment: solver CR of PE, i.e., a computational representation specifically of one or multiple physical equations (PE)

concrete graph
type: Class
equivalent class: Class
  intersection of: workflow graph
  intersection of: Restriction
    on property: is concrete
    has value: true
subclass of: workflow graph
subclass of: Restriction
  on property: is virtual
  has value: false
comment: concrete graph, i.e., a workflow graph that is a concrete (non-virtual) workflow resource

condition
type: Class
subclass of: marketplace related entity
subclass of: Mathematical
disjoint union of: qualitative condition
disjoint union of: quantitative condition
comment: condition, i.e., a statement concerning values of properties and/or parameters and/or their relation to each other

contingent graph
type: Class
subclass of: virtual graph
subclass of: Restriction
  on property: is contingent on
  some values from: condition
comment: contingent graph, i.e., a virtual graph that is only present/active if one or multiple conditions are fulfilled

coupled processor
type: Class
subclass of: processor
comment: coupled processor, i.e., a processor that is synchronized with a solver and operates on the fly

coupled processor method type
type: Class
subclass of: processor method type
comment: coupled processor method type, i.e., a method type associated with a coupled processor

data processor
type: Class
subclass of: processor
comment: data processor, i.e., a processor that is not coupled or immediately linked to a solver

data processor method type
type: Class
subclass of: processor method type
comment: data processor method type, i.e., a method type associated with a data processor

decision support system
type: Class
subclass of: data infrastructure
subclass of: software infrastructure
comment: decision support system, i.e., a data and software infrastructure that facilitates decision support

ec listed material
type: Class
equivalent class: Class
  intersection of: material
  intersection of: Restriction
    on property: has ec number
    some values from: string
subclass of: material
comment: EC listed material, i.e., a material that has an EC number and is traded on the European common market

einecs listed material
type: Class
subclass of: ec listed material
comment: EINECS listed material, i.e., an EC listed material from the European Inventory of Existing Commercial Chemical Substances (EINECS)

elementary logical
type: Class
equivalent class: Class
  intersection of: elementary term
  intersection of: logical variable
subclass of: elementary term
subclass of: logical variable
comment: elementary logical, i.e., a logical variable that does not contain any (sub-)variables as structure elements

elementary term
type: Class
subclass of: logical term
disjoint union of: elementary logical
disjoint union of: elementary value
comment: elementary term, i.e., a logical term without any internal structure

elementary value
type: Class
equivalent class: Class
  intersection of: elementary term
  intersection of: logical value
subclass of: elementary term
subclass of: logical value
comment: elementary value, i.e., an entity that can be assigned to an elementary logical (variable) as its value

elincs listed material
type: Class
subclass of: ec listed material
comment: ELINCS listed material, i.e., an EC listed material from the European List of Notified Chemical Substances (ELINCS)

error statement
type: Class
subclass of: section aspect
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: accuracy assertion
comment: error statement, i.e., an aspect that contains an accuracy assertion

geometry information
type: Class
subclass of: boundary condition
comment: geometry information, i.e., geometry considered by an OSMO/MODA section

governing equation
type: Class
subclass of: model aspect
subclass of: Restriction
  on property: has aspect object content
  some values from: condition
comment: governing equation (GE) as defined by RoMM, i.e., a physical equation (PE) or materials relation (MR)

granularity level
type: Class
equivalent class: granularity level
equivalent class: Class
  one of: ATOMISTIC
  one of: CONTINUUM
  one of: ELECTRONIC
  one of: MESOSCOPIC
subclass of: materials model classifier
comment: granularity level (from RoMM), i.e., electronic, atomistic, mesoscopic, or continuum level according to RoMM

indexed graph
type: Class
subclass of: virtual graph
subclass of: Restriction
  on property: has index
  cardinality: 1
subclass of: Restriction
  on property: has index value
  min cardinality: 2
comment: indexed graph, i.e., a virtual graph that is instantiated multiple times, with an index

logical access
type: Class
subclass of: annotation
disjoint with: logical term
disjoint with: section aspect
disjoint with: workflow resource
disjoint union of: logical read access
disjoint union of: logical write access
comment: logical access, i.e., a notational process/connection by which an OSMO/MODA section accesses a logical resource

logical array
type: Class
subclass of: logical variable
subclass of: unique structure
type: NamedIndividual
comment: logical array, i.e., a unique structure with indexed elements (n.b., for indexing, use has_variable_index, starting from 0)

logical collection
type: Class
subclass of: logical variable
comment: logical collection, i.e., a logical variable that can carry multiple values (e.g., representing a set, map, list, or array)

logical constant
type: Class
equivalent class: Class
  intersection of: logical variable
  intersection of: Restriction
    on property: is constant
    has value: true
subclass of: logical variable
comment: logical constant, i.e., a logical variable with constant value

logical node
type: Class
subclass of: workflow node
subclass of: Restriction
  on property: contains logical
  cardinality: 1
subclass of: Restriction
  on property: contains section
  cardinality: 0
comment: logical node, i.e., a workflow node that contains exactly one logical resource

logical read access
type: Class
subclass of: logical access
comment: logical read access, i.e., a notational process/connection by which an OSMO/MODA section reads from a logical resource

logical resource
type: Class
subclass of: annotation
subclass of: workflow resource
comment: logical resource, i.e., a notational element of a simulation workflow to which data (i.e., logical variables) are formally written and/or from where they can be formally read

logical structure
type: Class
equivalent class: Class
  intersection of: logical variable
  intersection of: structure term
subclass of: logical variable
subclass of: structure term
comment: logical structure, i.e., a logical variable that contains (sub-)variables as structure elements

logical term
type: Class
subclass of: marketplace related entity
subclass of: Symbolic
disjoint with: section aspect
disjoint with: workflow resource
disjoint union of: elementary term
disjoint union of: structure term
disjoint union of: logical value
disjoint union of: logical variable
comment: logical term, i.e., a logical variable or a value that can be assigned to a logical variable

logical value
type: Class
subclass of: annotation
subclass of: logical term
disjoint union of: elementary value
disjoint union of: structure value
comment: logical value, i.e., an entity that can be assigned to a logical variable as its value

logical variable
type: Class
subclass of: logical term
disjoint union of: elementary logical
disjoint union of: logical structure
disjoint union of: logical collection
disjoint union of: unique logical
type: NamedIndividual
comment: logical variable, i.e., a term that can be exchanged by interaction with logical resources

logical write access
type: Class
subclass of: logical access
comment: logical write access, i.e., a notational process/connection by which an OSMO/MODA section writes to a logical resource

material information
type: Class
subclass of: section aspect
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: material
comment: material information, i.e., aspect related to the material considered by an OSMO/MODA section

material information uf
type: Class
subclass of: unit function
comment: Unit function of an MI

materials model
type: Class
subclass of: model
subclass of: section
subclass of: Restriction
  on property: has materials relation
  some values from: materials relation
subclass of: Restriction
  on property: has model granularity
  some values from: model granularity
subclass of: Restriction
  on property: has model type
  some values from: model type
subclass of: Restriction
  on property: has physical equation
  some values from: physical equation
comment: materials model (as in MODA)

materials model classifier
type: Class
subclass of: annotation
subclass of: Sign
subclass of: Restriction
  on property: is sign for
  some values from: materials model
subclass of: Restriction
  on property:
    inverse of: hasSign
  some values from: Model
comment: materials model classifier, i.e., a symbol for categories of materials-model related entities, following RoMM (note: these are descriptors, not identical with the described entities)

materials relation
type: Class
equivalent class: materials relation
subclass of: marketplace related entity
subclass of: governing equation
type: NamedIndividual
comment: materials relation (MR) as defined by RoMM, cf. MODA subsection 2.4

maximization objective
type: Class
subclass of: optimization objective
subclass of: unique elementary
comment: maximization objective, i.e., a target quantity that is to be maximized

method type
type: Class
subclass of: section aspect
comment: method type, i.e., type and/or name information on a method employed by an OSMO/MODA section

minimization objective
type: Class
subclass of: optimization objective
subclass of: unique elementary
comment: minimization objective, i.e., a target quantity that is to be minimized

model aspect
type: Class
subclass of: section aspect
comment: model aspect, i.e., an aspect of a materials model

model boundary condition
type: Class
subclass of: boundary condition
subclass of: model aspect
comment: model boundary condition (MODA subsection 2.5), characterizes/describes a boundary condition that is applied to the model

model error statement
type: Class
subclass of: error statement
comment: model error statement, characterizes/describes the error or uncertainty associated with a model

model granularity
type: Class
subclass of: model aspect
subclass of: Restriction
  on property: has aspect annotation content
  some values from: granularity level
comment: model granularity aspect (MODA subsection 2.2), characterizes the RoMM granularity level of a model

model type
type: Class
subclass of: method type
subclass of: model aspect
subclass of: Restriction
  on property: has aspect annotation content
  some values from: physical equation type
comment: model type (MODA subsection 2.1), characterizes/describes the model type or class or the approach to modelling that is followed

nlp listed material
type: Class
subclass of: ec listed material
comment: NLP listed material, i.e., an EC listed material from the No-Longer-Polymers (NLP) List

optimization objective
type: Class
subclass of: logical variable
comment: optimization objective, i.e., a logical variable that is employed as a criterion during optimization

overview access conditions
type: Class
subclass of: simulation overview aspect
comment: Access conditions - MODA cover page, aspect 4: Please list whether the model and/or data are free, commercial or open source. Please list the owner and the name of the software or database (including web link if available).

overview literature
type: Class
subclass of: section literature
subclass of: simulation overview aspect
comment: publication that documents data pertaining to the present simulation workflow (MODA cover page, aspect 3)

overview model description
type: Class
subclass of: simulation overview aspect
comment: General description of the chain of models (MODA cover page, aspect 2), to be provided as plain-text content; n.b., the detailed workflow and specification of how exactly the models are connected should be provided in terms of OSMO/LDT workflow notation. Here, it is appropriate to provide only a summary in text form.

overview rationale
type: Class
subclass of: simulation overview aspect
comment: Rationale - MODA cover page, aspect 5: Please give a textual rationale of why you as a modeller have chosen these models and this workflow. This should include the reason why a particular aspect of the user case is to be simulated with a particular model.

overview use case description
type: Class
subclass of: simulation overview aspect
comment: General description of the use case (MODA cover page, aspect 1), to be provided as plain-text content

parameter aspect
type: Class
subclass of: section aspect
subclass of: Restriction
  on property: has aspect object content
  some values from: logical variable
comment: parameter aspect, i.e., an aspect characterizing a parameter associated with an OSMO/MODA section

pe type atomistic
type: Class
equivalent class: Class
  intersection of: physical equation type
  intersection of: Restriction
    on property: has granularity level
    has value: ATOMISTIC
subclass of: physical equation type
disjoint union of: pe type atomistic density functional
disjoint union of: pe type atomistic molecular dynamics
disjoint union of: pe type atomistic molecular statics
disjoint union of: pe type atomistic partition function
disjoint union of: pe type atomistic spin model
disjoint union of: pe type atomistic statistical transport
comment: atomistic physical equation type, i.e., a PE type that at the atomistic granularity level

pe type atomistic density functional
type: Class
subclass of: pe type atomistic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type A.1: Classical-mechanical density functional theory (atomistic)
subclass of: Restriction
  on property: has pe type id
  has value: A.1
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation A.1 specifically
has mm topic: Topic: Theoretical aspects of physical equation A.1 specifically
comment: RoMM model vocabulary category 2.1, OSMO PE type A.1

pe type atomistic molecular dynamics
type: Class
subclass of: pe type atomistic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type A.3: Molecular dynamics (atomistic)
subclass of: Restriction
  on property: has pe type id
  has value: A.3
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation A.3 specifically
has mm topic: Topic: Theoretical aspects of physical equation A.3 specifically
comment: RoMM model vocabulary category 2.3, OSMO PE type A.3

pe type atomistic molecular statics
type: Class
subclass of: pe type atomistic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type A.2: Molecular statics (atomistic), energy minimization
subclass of: Restriction
  on property: has pe type id
  has value: A.2
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation A.2 specifically
has mm topic: Topic: Theoretical aspects of physical equation A.2 specifically
comment: RoMM model vocabulary category 2.2, OSMO PE type A.2

pe type atomistic partition function
type: Class
subclass of: pe type atomistic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type A.4: Partition function (atomistic), e.g., for a Monte Carlo solver
subclass of: Restriction
  on property: has pe type id
  has value: A.4
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation A.4 specifically
has mm topic: Topic: Theoretical aspects of physical equation A.4 specifically
comment: RoMM model vocabulary category 2.4, OSMO PE type A.4

pe type atomistic spin model
type: Class
subclass of: pe type atomistic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type A.5: Atomistic spin model
subclass of: Restriction
  on property: has pe type id
  has value: A.5
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation A.5 specifically
has mm topic: Topic: Theoretical aspects of physical equation A.5 specifically
comment: RoMM model vocabulary category 2.5, OSMO PE type A.5

pe type atomistic statistical transport
type: Class
subclass of: pe type atomistic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type A.6: Statistical transport model (atomistic)
subclass of: Restriction
  on property: has pe type id
  has value: A.6
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation A.6 specifically
comment: RoMM model vocabulary categories 2.6 and 2.7, OSMO PE type A.6

pe type continuum
type: Class
equivalent class: Class
  intersection of: physical equation type
  intersection of: Restriction
    on property: has granularity level
    has value: CONTINUUM
subclass of: physical equation type
disjoint union of: pe type continuum electromagnetism
disjoint union of: pe type continuum fluid mechanics
disjoint union of: pe type continuum heat transfer
disjoint union of: pe type continuum phase field
disjoint union of: pe type continuum process model
disjoint union of: pe type continuum reaction kinetics
disjoint union of: pe type continuum solid mechanics
disjoint union of: pe type continuum thermodynamics
comment: continuum physical equation type, i.e., a PE type that operates at the continuum granularity level

pe type continuum electromagnetism
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.7: Continuum electromagnetism model (including optics, magnetism, etc.)
subclass of: Restriction
  on property: has pe type id
  has value: CO.7
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation CO.7
has mm topic: Topic: Theoretical aspects of physical equation CO.7
comment: RoMM model vocabulary category 4.6, OSMO PE type CO.7

pe type continuum fluid mechanics
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.2: Continuum fluid mechanics
subclass of: Restriction
  on property: has pe type id
  has value: CO.2
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation CO.2
has mm topic: Topic: Theoretical aspects of physical equation CO.2
comment: RoMM model vocabulary category 4.2, OSMO PE type CO.2

pe type continuum heat transfer
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.3: Continuum modelling of heat transfer and thermomechanics
subclass of: Restriction
  on property: has pe type id
  has value: CO.3
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation CO.3
has mm topic: Topic: Theoretical aspects of physical equation CO.3
comment: RoMM model vocabulary category 4.3, OSMO PE type CO.3

pe type continuum phase field
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.4: Phase field model or continuum density gradient theory
subclass of: Restriction
  on property: has pe type id
  has value: CO.4
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation CO.4
has mm topic: Topic: Theoretical aspects of physical equation CO.4
comment: RoMM model vocabulary category 4.4.2, OSMO PE type CO.4

pe type continuum process model
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.8: Continuum process model (including devices and components of chemical/mechanical processes, flow-chart models, etc.)
subclass of: Restriction
  on property: has pe type id
  has value: CO.8
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation CO.8
has mm topic: Topic: Theoretical aspects of physical equation CO.8
comment: RoMM model vocabulary category 4.7, OSMO PE type CO.8

pe type continuum reaction kinetics
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.6: Continuum modelling of chemical reaction kinetics
subclass of: Restriction
  on property: has pe type id
  has value: CO.6
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation CO.6
has mm topic: Topic: Theoretical aspects of physical equation CO.6
comment: RoMM model vocabulary category 4.5, OSMO PE type CO.6

pe type continuum solid mechanics
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.1: Continuum solid mechanics
subclass of: Restriction
  on property: has pe type id
  has value: CO.1
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation CO.1
has mm topic: Topic: Theoretical aspects of physical equation CO.1
comment: RoMM model vocabulary category 4.1, OSMO PE type CO.1

pe type continuum thermodynamics
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.5: Continuum thermodynamics
subclass of: Restriction
  on property: has pe type id
  has value: CO.5
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation CO.5
has mm topic: Topic: Theoretical aspects of physical equation CO.5
comment: RoMM model vocabulary category 4.4.1, OSMO PE type CO.5

pe type electronic
type: Class
equivalent class: Class
  intersection of: physical equation type
  intersection of: Restriction
    on property: has granularity level
    has value: ELECTRONIC
subclass of: physical equation type
disjoint union of: pe type electronic charge transport
disjoint union of: pe type electronic manybody effective
disjoint union of: pe type electronic qm abinitio
disjoint union of: pe type electronic spin transport
disjoint union of: pe type electronic time dependent
comment: electronic physical equation type, i.e., a PE type at the electronic granularity level

pe type electronic charge transport
type: Class
subclass of: pe type electronic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type EL.4: Statistical charge transport model
subclass of: Restriction
  on property: has pe type id
  has value: EL.4
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation EL.4
has mm topic: Topic: Theoretical aspects of physical equation EL.4, i.e., non-equilibrium Green's functions (NEGF)
comment: RoMM model vocabulary category 1.4, OSMO PE type EL.4

pe type electronic manybody effective
type: Class
subclass of: pe type electronic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type EL.2: Electronic many-body and/or effective Hamiltonian model
subclass of: Restriction
  on property: has pe type id
  has value: EL.2
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation EL.2
has mm topic: Topic: Theoretical aspects of physical equation EL.2
comment: RoMM model vocabulary category 1.2, OSMO PE type EL.2

pe type electronic qm abinitio
type: Class
subclass of: pe type electronic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type EL.1: Ab-initio quantum mechanical (or first principle) model
subclass of: Restriction
  on property: has pe type id
  has value: EL.1
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation EL.1
has mm topic: Topic: Theoretical aspects of physical equation EL.1
comment: RoMM model vocabulary category 1.1, OSMO PE type EL.1

pe type electronic spin transport
type: Class
subclass of: pe type electronic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type EL.5: Statistical electron spin transport model
subclass of: Restriction
  on property: has pe type id
  has value: EL.5
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation EL.5
has mm topic: Topic: Theoretical aspects of physical equation EL.5
comment: RoMM model vocabulary category 1.5, OSMO PE type EL.5

pe type electronic time dependent
type: Class
subclass of: pe type electronic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type EL.3: QM model of the response to time-dependent fields
subclass of: Restriction
  on property: has pe type id
  has value: EL.3
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation EL.3
has mm topic: Topic: Theoretical aspects of physical equation EL.3
comment: RoMM model vocabulary category 1.3, OSMO PE type EL.3

pe type mesoscopic
type: Class
equivalent class: Class
  intersection of: physical equation type
  intersection of: Restriction
    on property: has granularity level
    has value: MESOSCOPIC
subclass of: physical equation type
disjoint union of: pe type mesoscopic density functional
disjoint union of: pe type mesoscopic micromagnetism
disjoint union of: pe type mesoscopic molecular dynamics
disjoint union of: pe type mesoscopic molecular statics
disjoint union of: pe type mesoscopic partition function
disjoint union of: pe type mesoscopic statistical transport
comment: mesoscopic physical equation type, i.e., a PE type at the mesoscopic granularity level

pe type mesoscopic density functional
type: Class
subclass of: pe type mesoscopic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type M.1: Classical-mechanical density functional theory (mesoscopic)
subclass of: Restriction
  on property: has pe type id
  has value: M.1
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation M.1 specifically
has mm topic: Topic: Theoretical aspects of physical equation M.1 specifically
comment: RoMM model vocabulary category 3.1, OSMO PE type M.1

pe type mesoscopic micromagnetism
type: Class
subclass of: pe type mesoscopic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type M.5: Micromagnetism model
subclass of: Restriction
  on property: has pe type id
  has value: M.5
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation M.5 specifically
has mm topic: Topic: Theoretical aspects of physical equation M.5 specifically
comment: RoMM model vocabulary category 3.4, OSMO PE type M.5

pe type mesoscopic molecular dynamics
type: Class
subclass of: pe type mesoscopic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type M.3: Molecular dynamics (mesoscopic), i.e., coarse-grained or united-atom modelling
subclass of: Restriction
  on property: has pe type id
  has value: M.3
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation M.3 specifically
has mm topic: Topic: Theoretical aspects of physical equation M.3 specifically
comment: RoMM model vocabulary category 3.2, OSMO PE type M.3

pe type mesoscopic molecular statics
type: Class
subclass of: pe type mesoscopic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type M.2: Molecular statics (mesoscopic), i.e., energy minimization
subclass of: Restriction
  on property: has pe type id
  has value: M.2
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation M.2 specifically
has mm topic: Topic: Theoretical aspects of physical equation M.2 specifically
comment: OSMO PE type M.2

pe type mesoscopic partition function
type: Class
subclass of: pe type mesoscopic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type M.4: Partition function (mesoscopic), e.g., for a Monte Carlo solver
subclass of: Restriction
  on property: has pe type id
  has value: M.4
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation M.4 specifically
has mm topic: Topic: Theoretical aspects of physical equation M.4 specifically
comment: RoMM model vocabulary category 3.3, OSMO PE type M.4

pe type mesoscopic statistical transport
type: Class
subclass of: pe type mesoscopic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type M.6: Statistical transport model (mesoscopic)
subclass of: Restriction
  on property: has pe type id
  has value: M.6
type: NamedIndividual
has mm topic: Topic: Computational aspects of physical equation M.6 specifically
comment: RoMM model vocabulary categories 3.5, OSMO PE type M.6

physical equation
type: Class
equivalent class: physical equation
subclass of: governing equation
comment: physical equation (PE) as defined by RoMM, cf. MODA subsection 2.3

physical equation type
type: Class
subclass of: materials model classifier
subclass of: Restriction
  on property: has granularity level
  cardinality: 1
subclass of: Restriction
  on property: has pe type descriptor
  some values from: string
subclass of: Restriction
  on property: has pe type id
  cardinality: 1
disjoint union of: pe type atomistic
disjoint union of: pe type continuum
disjoint union of: pe type electronic
disjoint union of: pe type mesoscopic
comment: physical equation type, i.e., a symbol referring to the physical equation underlying a model, mostly following RoMM (n.b., these entities are not models, they are descriptors of models)

physical variable
type: Class
subclass of: material property
subclass of: paradigmatic entity
subclass of: logical variable
comment: physical variable, i.e., a logical variable defined in terms of a material property

postprocessor
type: Class
subclass of: processor
comment: postprocessor, i.e., a processor that operates subsequent to a solver or during solver finalization

postprocessor method type
type: Class
subclass of: processor method type
comment: postprocessor method type, i.e., a method type associated with a postprocessor

preprocessor
type: Class
subclass of: processor
comment: preprocessor, i.e., a processor that operates before a solver or during solver initialization

preprocessor method type
type: Class
subclass of: processor method type
comment: preprocessor method type, i.e., a method type associated with a preprocessor

processor
type: Class
subclass of: annotation
subclass of: section
subclass of: Restriction
  on property: has processor method type
  some values from: processor method type
disjoint union of: coupled processor
disjoint union of: data processor
disjoint union of: postprocessor
disjoint union of: preprocessor
comment: processor (like a MODA postprocessor, however, without implying execution subsequent to a solver, which would correspond to the special case represented by the subclass osmo:postprocessor)

processor aspect
type: Class
subclass of: section aspect
comment: processor aspect, i.e., an aspect of a processor (as in MODA)

processor error statement
type: Class
subclass of: error statement
subclass of: processor aspect
comment: processor error statement (MODA subsection 4.3), characterizes/describes the error or uncertainty associated with a processor output

processor method type
type: Class
subclass of: method type
subclass of: processor aspect
subclass of: Restriction
  on property: has aspect text content
  some values from: string
comment: processor method type (MODA subsection 4.2), characterizes/describes the methodology employed by a processor

processor software
type: Class
subclass of: processor aspect
subclass of: software
subclass of: Restriction
  on property: has aspect object content
  some values from: software tool
comment: processor software (OSMO aspect 4.4, extending MODA), characterizes/describes a code/package to be used as a processor

qualitative condition
type: Class
subclass of: condition
comment: qualitative condition, i.e., a condition (e.g., an inequality) that compares or connects properties and/or parameters without imposing any particular value for any of them, even if the values of all the others are given

quantitative condition
type: Class
subclass of: condition
comment: quantitative condition, i.e., a condition (e.g., an equation) that imposes a particular value for one of the considered quantities assuming that all others are given

section
type: Class
subclass of: workflow resource
disjoint with: section aspect
disjoint union of: application case
disjoint union of: materials model
disjoint union of: processor
disjoint union of: simulation overview
disjoint union of: solver
comment: section, i.e., a simulation overview, application case, model, solver, or processor (as in MODA)

section aspect
type: Class
subclass of: marketplace related entity
subclass of: Symbolic
disjoint with: workflow resource
disjoint union of: application case aspect
disjoint union of: model aspect
disjoint union of: processor aspect
disjoint union of: simulation overview aspect
disjoint union of: solver aspect
comment: section aspect, i.e., a descriptor of an application case, model, solver, or processor that can be represented by a section

section description
type: Class
subclass of: section aspect
comment: section description, i.e., any descriptive-type information concerning an OSMO/MODA section

section literature
type: Class
subclass of: section aspect
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: citation
comment: section literature, i.e., a literature reference associated with an OSMO/MODA section

simulation overview
type: Class
subclass of: annotation
subclass of: section
subclass of: Restriction
  on property:
    inverse of: hasSign
  some values from: Semiosis
subclass of: Restriction
  on property: applies to
  all values from: simulation workflow
subclass of: Restriction
  on property: applies to
  cardinality: 1
subclass of: Restriction
  on property:
    inverse of: has simulation overview
  cardinality: 1
comment: simulation overview (as in MODA)

simulation overview aspect
type: Class
subclass of: section aspect
comment: Simulation overview aspect, i.e., an aspect of a simulation overview (as specified in the MODA cover page)

simulation workflow
type: Class
subclass of: workflow graph
subclass of: workflow resource
subclass of: Restriction
  on property: is sign for
  some values from: simulation
subclass of: Restriction
  on property: has simulation outcome
  some values from: logical node
subclass of: Restriction
  on property:
    inverse of: hasSign
  some values from: Semiosis
comment: simulation workflow, i.e., a (complete) workflow graph of an actually executable simulation workflow

software
type: Class
subclass of: section aspect
comment: software, i.e., an executable numerical artefact

solver
type: Class
subclass of: annotation
subclass of: section
subclass of: Restriction
  on property: has solver method type
  some values from: solver method type
subclass of: Restriction
  on property: has solver software
  some values from: solver software
comment: solver (as in MODA)

solver aspect
type: Class
subclass of: section aspect
comment: MODA solver aspect, i.e., an aspect of a solver (similar to MODA)

solver boundary condition
type: Class
subclass of: boundary condition
subclass of: solver aspect
comment: solver boundary condition (MODA subsection 3.5), characterizes/describes a computational boundary condition of a solver

solver error statement
type: Class
subclass of: error statement
comment: solver error statement, characterizes/describes the error or uncertainty associated with a solver output

solver method type
type: Class
subclass of: method type
subclass of: solver aspect
comment: solver method type (MODA subsection 3.1), characterizes/describes the name and type of the solver

solver parameter
type: Class
subclass of: parameter aspect
subclass of: solver aspect
comment: solver parameter (MODA subsection 3.6), i.e., a parameter of a solver

solver software
type: Class
subclass of: software
subclass of: solver aspect
subclass of: Restriction
  on property: has aspect object content
  some values from: software tool
comment: solver software (MODA subsection 3.2), characterizes/describes a code/package to be used as a solver

solver timestep
type: Class
subclass of: solver aspect
subclass of: temporal discretization
comment: solver time step (MODA subsection 3.3), numerical time step employed by the solver

structure term
type: Class
subclass of: logical term
disjoint union of: logical structure
disjoint union of: structure value
comment: structure term, i.e., a logical term with an internal structure

structure value
type: Class
equivalent class: Class
  intersection of: logical value
  intersection of: structure term
subclass of: logical value
subclass of: structure term
comment: structure value, i.e., an entity that can be assigned to a logical structure as its value

temporal discretization
type: Class
subclass of: section aspect
comment: temporal discretization, i.e., temporal discretization approach conceptually underlying an OSMO/MODA section

timespan information
type: Class
subclass of: section aspect
comment: time span information, i.e., statement on the time interval considered, modelled, or represented by an OSMO/MODA section

unique logical
type: Class
subclass of: logical variable
comment: logical scalar, i.e., an logical variable that can have only one value at the same time

unique physical constant
type: Class
subclass of: logical constant
subclass of: physical variable
subclass of: unique elementary
comment: unique physical constant, i.e., a physical variable with a unique constant value

unit function
type: Class
subclass of: annotation
subclass of: Restriction
  on property: refers to unit
  some values from: marketplace related entity
subclass of: Restriction
  on property: has uf descriptor
  some values from: string
comment: Unit function, i.e., purpose or impact of one out of multiple coexisting units of the same or similar type

use case
type: Class
subclass of: application case
subclass of: Restriction
  on property: has use case material
  some values from: use case material
comment: use case (i.e., in MODA: 'user case')

use case aspect
type: Class
subclass of: application case aspect
comment: use-case aspect (similar as in MODA)

use case boundary condition
type: Class
subclass of: boundary condition
subclass of: use case aspect
comment: use-case boundary condition (MODA subsection 1.5), characterizes/describes a thermodynamic, spatio-temporal, or any other boundary condition

use case decision support
type: Class
subclass of: application case decision support
subclass of: use case aspect
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: use case decision support system
comment: information on the use-case decision support system (UDSS)

use case decision support system
type: Class
subclass of: application decision support system
comment: use-case decision support system (UDSS), i.e., a decision support system that is applied to a use case

use case description
type: Class
subclass of: section description
subclass of: use case aspect
subclass of: Restriction
  on property: has aspect text content
  some values from: string
comment: use-case description (MODA subsection 1.1), describes aspects of a use case textually

use case geometry
type: Class
subclass of: geometry information
subclass of: use case boundary condition
comment: use-case geometry information (MODA subsection 1.3), characterizes/describes the considered system geometry

use case literature
type: Class
subclass of: section literature
subclass of: use case aspect
comment: use-case literature (MODA subsection 1.6), cites a reference that is relevant or of interest for the use case

use case material
type: Class
subclass of: material information
subclass of: use case aspect
comment: use-case material information (MODA subsection 1.2), characterizes/describes the considered material

use case timespan
type: Class
subclass of: timespan information
subclass of: use case aspect
comment: use-case time span (MODA subsection 1.4), characterizes/describes the considered time interval

virtual graph
type: Class
equivalent class: Class
  intersection of: workflow graph
  intersection of: Restriction
    on property: is virtual
    has value: true
subclass of: workflow graph
subclass of: Restriction
  on property: is concrete
  has value: false
comment: virtual graph, i.e., a workflow graph that is variably instantiated based on workflow-dependent quantities; e.g., a virtual graph might be instantiated multiple times in parallel or sequentially, or the way in which it is instantiated might qualitatively depend on input parameters in a significant way, going beyond the conventional role of an input parameter (n.b., virtual graphs do not contain anything; instead, they are instantiated by concrete graphs that contain further elements)

workflow graph
type: Class
subclass of: WellFormedSymbolic
subclass of: workflow resource
disjoint union of: concrete graph
disjoint union of: virtual graph
comment: workflow graph, i.e., a model, a simulation workflow, or a composition of constituent elements and aspects thereof that can be represented in logical data transfer (LDT) notation

workflow node
type: Class
subclass of: annotation
subclass of: workflow graph
subclass of: Restriction
  on property: contains logical
  max cardinality: 1
subclass of: Restriction
  on property: contains section
  max cardinality: 1
comment: workflow node, i.e., a workflow graph that contains exactly one workflow resource

workflow resource
type: Class
subclass of: marketplace related entity
subclass of: Symbolic
disjoint union of: logical resource
disjoint union of: section
disjoint union of: workflow graph
comment: workflow resource, i.e., a workflow entity that can be contained as a node-like element or as a subgraph by a workflow graph

abstract
type: Class
subclass of: information content entity
type: NamedIndividual
comment: abstract as defined by the IAO

audio recording
type: Class
subclass of: recording
disjoint with: video recording
comment: audio recording, i.e., a recording with audio-only content

author identifier
type: Class
subclass of: annotation
subclass of: Restriction
  on property: has identified surname
  cardinality: 1
comment: author identifier, i.e., a descriptor by which an author can be identified

author map
type: Class
subclass of: annotation
comment: author map, i.e., an indexed collection of author identifiers (n.b., not a collection of the persons themselves, but of identifiers)

author map element
type: Class
subclass of: annotation
subclass of: Restriction
  on property: has ame identifier
  cardinality: 1
subclass of: Restriction
  on property: has ame index
  cardinality: 1
comment: author map element, i.e., a numbered entry within an indexed collection of author identifiers

book
type: Class
equivalent class: Class
  intersection of: publication
  intersection of: Restriction
    on property: has document isbn
    some values from: string
subclass of: publication
comment: book, i.e., a publication that has an ISBN

book citation
type: Class
equivalent class: Class
  intersection of: citation
  intersection of: Restriction
    on property: is citation about document
    some values from: book
subclass of: citation
subclass of: Restriction
  on property: has cited book publisher country
  some values from: country
subclass of: Restriction
  on property: has cited book publisher city
  some values from: string
subclass of: Restriction
  on property: has cited book publisher name
  cardinality: 1
comment: book citation, i.e., a citation that is about a book

carrier
type: Class
subclass of: paradigmatic entity
subclass of: Class
  union of: calendar event
  union of: information content entity
comment: carrier, i.e., document or calendar event that carries the contents of a course

ccs concept
type: Class
subclass of: topic
subclass of: Restriction
  on property: has ccs descriptor
  some values from: string
subclass of: Restriction
  on property: has ccs id
  cardinality: 1
comment: CCS concept, i.e., a topic included in the 2012 ACM Computing Classification System developed by the ACM

citation
type: Class
subclass of: IAO_0000030
subclass of: information content entity
subclass of: Sign
subclass of: Restriction
  on property: is citation about document
  some values from: document
subclass of: Restriction
  on property:
    inverse of: hasSign
  some values from: information content entity
subclass of: Restriction
  on property: has first author surname
  cardinality: 1
subclass of: Restriction
  on property: has publication year
  cardinality: 1
type: NamedIndividual
comment: citation as defined by IAO; n.b., OTRAS adds some properties to this beyond what is specified by the IAO

course
type: Class
equivalent class: Course
subclass of: process
subclass of: Process
type: NamedIndividual
comment: a course as defined by CCSO

doi citation
type: Class
equivalent class: Class
  intersection of: citation
  intersection of: Restriction
    on property: has doi
    some values from: string
subclass of: citation
subclass of: Restriction
  on property: is about
  cardinality: 1
comment: DOI citation, i.e., a citation that has a DOI

example specifier
type: Class
subclass of: specifier
comment: example specifier, i.e., a concrete example of how the competency may be exercised in practice

expert competency
type: Class
subclass of: learning outcome
subclass of: Restriction
  on property: has operator specifier
  some values from: expert operator specifier
comment: an expert competency, i.e., an expert-level learning outcome

expert operator specifier
type: Class
subclass of: operator specifier
subclass of: Restriction
  on property: has operator level
  has value: Expert
subclass of: Restriction
  on property: has operator code
  cardinality: 1
comment: expert operator specifier, i.e., an competency statement operator specifier for expert-level competencies

focus
type: Class
subclass of: annotation
subclass of: Symbolic
comment: focus, i.e., a studied object, topic, training objective, or an aspect or constitutive part thereof

implementation specifier
type: Class
subclass of: specifier
comment: implementation specifier, i.e., a process or procedural aspect of the specified competency

instructor
type: Class
subclass of: expert
subclass of: training provider
subclass of: Professor
comment: instructor, i.e., an individual human agent with expertise who can take responsibility for courses, training units, or training services

journal article
type: Class
subclass of: scientific publication
comment: a journal article

journal article citation
type: Class
equivalent class: Class
  intersection of: citation
  intersection of: Restriction
    on property: is citation about document
    some values from: journal article
subclass of: citation
subclass of: Restriction
  on property: has publication journal identifier
  some values from: string
subclass of: Restriction
  on property: has publication journal pages
  some values from: string
subclass of: Restriction
  on property: has publication journal volume
  some values from: positiveInteger
comment: journal article citation, i.e., a citation that is about a journal article

kmk operator level
type: Class
equivalent class: Class
  one of: Basic (Beginner)
  one of: Intermediate
  one of: Advanced
subclass of: operator level
subclass of: Restriction
  on property: is at numerical level
  cardinality: 1
comment: KMK operator level, i.e., a requirement level corresponding to one of the headings from the KMK catalogue of operators for statements of learning outcomes in natural-science subjects

kmk operator specifier
type: Class
subclass of: operator specifier
subclass of: Restriction
  on property: has kmk level
  some values from: kmk operator level
subclass of: Restriction
  on property: has operator code
  cardinality: 1
comment: KMK operator specifier, i.e., an operator from the catalogue for natural-science subjects agreed upon by the German Federal Conference of State Cultural Ministries (KMK)

learning outcome
type: Class
equivalent class: LearningOutcome
subclass of: focus
subclass of: Restriction
  on property: has operand specifier
  some values from: operand specifier
subclass of: Restriction
  on property: has operator specifier
  some values from: operator specifier
type: NamedIndividual
comment: a learning outcome (i.e., competency), same as LearningOutcome from CCSO, further characterized by OTRAS

mm topic
type: Class
subclass of: topic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Materials modelling (general)
subclass of: Restriction
  on property: has topic descriptor
  some values from: Literal
subclass of: Restriction
  on property: has topic code
  cardinality: 1
comment: materials modelling topic, i.e., a topic related to the subject area of materials modelling, understood broadly

mm topic basic
type: Class
subclass of: mm topic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Basic prerequisites (general)
comment: basic prerequisites for materials modelling studies (codes 1XXX and 2XXX)

mm topic basic chemical
type: Class
subclass of: mm topic basic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Basic prerequisites in chemical and process engineering, biotechnology, petrochemistry, and organic chemistry
comment: basic prerequisites in chemical and process engineering, biotechnology, petrochemistry, and organic chemistry (code 11XX or 21XX)

mm topic basic economics
type: Class
subclass of: mm topic basic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Basic prerequisites in economics, marketing, and business administration
comment: basic prerequisites in economics, marketing, and business administration (code 12XX or 22XX)

mm topic basic information
type: Class
subclass of: mm topic basic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Basic prerequisites in information technology, computer science, and progamming
comment: basic prerequisites in information technology, computer science, and progamming (code 13XX or 23XX)

mm topic basic interdisciplinary
type: Class
subclass of: mm topic basic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary basic prerequisites
comment: basic prerequisites that are best described as equally belonging to multiple fields (code 18XX or 28XX)

mm topic basic materials
type: Class
subclass of: mm topic basic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Basic prerequisites in materials science and general or inorganic chemistry
comment: basic prerequisites in materials science and general or inorganic chemistry (code 14XX or 24XX)

mm topic basic mathematics
type: Class
subclass of: mm topic basic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Basic prerequisites in mathematics, statistics, and logic
comment: basic prerequisites in mathematics (code 15XX or 25XX)

mm topic basic mechanical
type: Class
subclass of: mm topic basic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Basic prerequisites in mechanical, aerospace, civil, electrical, and general engineering
comment: basic prerequisites in mechanical, aerospace, civil, electrical, and general engineering (code 16XX or 26XX)

mm topic basic physics
type: Class
subclass of: mm topic basic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Basic prerequisites in physics and theoretical or physical chemistry
comment: basic prerequisites in physics (code 17XX or 27XX)

mm topic basic secondary
type: Class
subclass of: mm topic basic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Secondary or pre-undergraduate level education and general basic knowledge
comment: secondary or pre-undergraduate level education topics and general areas of basic knowledge (code 19XX or 29XX)

mm topic computational
type: Class
subclass of: mm topic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational or numerical (beyond basic prerequisites)
comment: a topic related to computational and numerical aspects of materials modelling (code 3XXX if unique, 8XXX if interdisciplinary)

mm topic computational AM1
type: Class
subclass of: mm topic computational discrete
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equations A.1/M.1
type: NamedIndividual
refers to: PE type A.1: Classical-mechanical density functional theory (atomistic)
refers to: PE type M.1: Classical-mechanical density functional theory (mesoscopic)
comment: computational aspects of physical equations A.1/M.1 (code 322X)

mm topic computational AM2
type: Class
subclass of: mm topic computational discrete
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equations A.2/M.2
type: NamedIndividual
refers to: PE type A.2: Molecular statics (atomistic), energy minimization
refers to: PE type M.2: Molecular statics (mesoscopic), i.e., energy minimization
comment: computational aspects of physical equations A.2/M.2 (code 323X)

mm topic computational AM3
type: Class
subclass of: mm topic computational discrete
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equations A.3/M.3
type: NamedIndividual
refers to: PE type A.3: Molecular dynamics (atomistic)
refers to: PE type M.3: Molecular dynamics (mesoscopic), i.e., coarse-grained or united-atom modelling
comment: computational aspects of physical equations A.3/M.3 (code 324X)

mm topic computational AM4
type: Class
subclass of: mm topic computational discrete
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equations A.4/M.4
type: NamedIndividual
refers to: PE type A.4: Partition function (atomistic), e.g., for a Monte Carlo solver
refers to: PE type M.4: Partition function (mesoscopic), e.g., for a Monte Carlo solver
comment: computational aspects of physical equations A.4/M.4 (code 325X)

mm topic computational AM5
type: Class
subclass of: mm topic computational discrete
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equations A.5/M.5
type: NamedIndividual
refers to: PE type A.5: Atomistic spin model
refers to: PE type M.5: Micromagnetism model
comment: computational aspects of physical equations A.5/M.5 (code 326X)

mm topic computational AM6
type: Class
subclass of: mm topic computational discrete
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equations A.6/M.6
type: NamedIndividual
refers to: PE type A.6: Statistical transport model (atomistic)
refers to: PE type M.6: Statistical transport model (mesoscopic)
comment: computational aspects of physical equations A.6/M.6 (code 327X)

mm topic computational CO1
type: Class
subclass of: mm topic computational continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equation CO.1
type: NamedIndividual
refers to: PE type CO.1: Continuum solid mechanics
comment: computational aspects of physical equation CO.1 (code 332X)

mm topic computational CO2
type: Class
subclass of: mm topic computational continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equation CO.2
type: NamedIndividual
refers to: PE type CO.2: Continuum fluid mechanics
comment: computational aspects of physical equation CO.2 (code 333X)

mm topic computational CO3
type: Class
subclass of: mm topic computational continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equation CO.3
type: NamedIndividual
refers to: PE type CO.3: Continuum modelling of heat transfer and thermomechanics
comment: computational aspects of physical equation CO.3 (code 334X)

mm topic computational CO4
type: Class
subclass of: mm topic computational continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equation CO.4
type: NamedIndividual
refers to: PE type CO.4: Phase field model or continuum density gradient theory
comment: computational aspects of physical equation CO.4 (code 335X)

mm topic computational CO5
type: Class
subclass of: mm topic computational continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equation CO.5
type: NamedIndividual
refers to: PE type CO.5: Continuum thermodynamics
comment: computational aspects of physical equation CO.5 (code 336X)

mm topic computational CO6
type: Class
subclass of: mm topic computational continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equation CO.6
type: NamedIndividual
refers to: PE type CO.6: Continuum modelling of chemical reaction kinetics
comment: computational aspects of physical equation CO.6 (code 337X)

mm topic computational CO7
type: Class
subclass of: mm topic computational continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equation CO.7
type: NamedIndividual
refers to: PE type CO.7: Continuum electromagnetism model (including optics, magnetism, etc.)
comment: computational aspects of physical equation CO.7 (code 338X)

mm topic computational CO8
type: Class
subclass of: mm topic computational continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equation CO.8
type: NamedIndividual
refers to: PE type CO.8: Continuum process model (including devices and components of chemical/mechanical processes, flow-chart models, etc.)
comment: computational aspects of physical equation CO.8 (code 339X)

mm topic computational EL1
type: Class
subclass of: mm topic computational electronic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equation EL.1
type: NamedIndividual
refers to: PE type EL.1: Ab-initio quantum mechanical (or first principle) model
comment: computational aspects of physical equation EL.1 (code 312X)

mm topic computational EL2
type: Class
subclass of: mm topic computational electronic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equation EL.2
type: NamedIndividual
refers to: PE type EL.2: Electronic many-body and/or effective Hamiltonian model
comment: computational aspects of physical equation EL.2 (code 313X)

mm topic computational EL3
type: Class
subclass of: mm topic computational electronic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equation EL.3
type: NamedIndividual
refers to: PE type EL.3: QM model of the response to time-dependent fields
comment: computational aspects of physical equation EL.3 (code 314X)

mm topic computational EL4
type: Class
subclass of: mm topic computational electronic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equation EL.4
type: NamedIndividual
refers to: PE type EL.4: Statistical charge transport model
comment: computational aspects of physical equation EL.4 (code 315X)

mm topic computational EL5
type: Class
subclass of: mm topic computational electronic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equation EL.5
type: NamedIndividual
refers to: PE type EL.5: Statistical electron spin transport model
comment: computational aspects of physical equation EL.5 (code 316X)

mm topic computational continuum
type: Class
subclass of: mm topic computational
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of (non-electronic, classical-mechanical) continuum modelling
comment: computational aspects of (non-electronic, classical-mechanical) continuum modelling (code 33XX)

mm topic computational discrete
type: Class
subclass of: mm topic computational
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of discrete (atomistic and mesoscopic) modelling
comment: computational aspects of discrete (atomistic and mesoscopic) modelling (code 32XX)

mm topic computational electronic
type: Class
subclass of: mm topic computational
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of electronic modelling
comment: computational aspects of electronic modelling (code 31XX)

mm topic computational mechanics
type: Class
subclass of: mm topic computational
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of classical and/or quantum mechanics
comment: computational aspects of classical and/or quantum mechanics (code 38XX)

mm topic computational multiphase
type: Class
subclass of: mm topic computational
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of interfacial phenomena and multiphase or heterogeneous systems
comment: computational aspects of interfacial phenomena and multiphase or heterogeneous systems (code 35XX)

mm topic computational non equilibrium
type: Class
subclass of: mm topic computational
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of non-equilibrium states and physical processes
comment: computational aspects of non-equilibrium states and physical processes (code 34XX)

mm topic computational rare event
type: Class
subclass of: mm topic computational non equilibrium
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Rare-event simulation methods
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Rare-event simulation by biased/forced dynamics (metadynamics, methods based on Jarzynski's theorem, etc.)
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Rare-event simulation by biased stochastic sampling (umbrella sampling, Wang-Landau sampling, etc.)
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Rare-event simulation by replica-exchange methods
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Rare-event simulation by statistics over trajectories, e.g., path-sampling based methods (FFS, TIS, TPS, etc.)
comment: rare-event simulation methods (code 346X)

mm topic computational statistical
type: Class
subclass of: mm topic computational
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of statistical mechanics and statistical approaches to materials modelling
comment: computational aspects of statistical mechanics and statistical approaches to materials modelling (code 36XX)

mm topic computational thermodynamics
type: Class
subclass of: mm topic computational
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of phenomenological thermodynamics
comment: computational aspects of phenomenological thermodynamics (code 37XX)

mm topic data
type: Class
subclass of: mm topic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Data science and technology (beyond basic prerequisites)
comment: a topic related to data science and technology aspects of materials modelling (code 4XXX if unique, 8XXX if interdisciplinary)

mm topic interdisciplinary
type: Class
subclass of: mm topic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary (beyond basic prerequisites)
comment: a topic beyond UG level that is best described as being shared by multiple of the main aspects (code 8XXX)

mm topic interdisciplinary comp data
type: Class
subclass of: mm topic computational
subclass of: mm topic data
subclass of: mm topic interdisciplinary
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant computational and data-science aspects
comment: an interdisciplinary topic beyond UG level that mainly combines computational and data-science aspects (code 834X)

mm topic interdisciplinary comp materials
type: Class
subclass of: mm topic computational
subclass of: mm topic interdisciplinary
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant computational and material-property aspects
comment: an interdisciplinary topic beyond UG level that mainly combines computational and material-property aspects (code 835X)

mm topic interdisciplinary comp side
type: Class
subclass of: mm topic computational
subclass of: mm topic interdisciplinary
subclass of: mm topic side
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant computational and side-interest aspects
comment: an interdisciplinary topic beyond UG level that mainly combines computational and side-interest aspects (code 839X)

mm topic interdisciplinary comp social
type: Class
subclass of: mm topic computational
subclass of: mm topic interdisciplinary
subclass of: mm topic social
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant computational and socio-economic aspects
comment: an interdisciplinary topic beyond UG level that mainly combines computational and socio-economic aspects (code 836X)

mm topic interdisciplinary comp theoretical
type: Class
subclass of: mm topic computational
subclass of: mm topic interdisciplinary
subclass of: mm topic theoretical
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant computational and theoretical aspects
comment: an interdisciplinary topic beyond UG level that mainly combines computational and theoretical aspects (code 837X)

mm topic interdisciplinary data materials
type: Class
subclass of: mm topic data
subclass of: mm topic interdisciplinary
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant data-science and material-property aspects
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Bioinformatics applied to genomics/genome analysis
comment: an interdisciplinary topic beyond UG level that mainly combines data-science and material-property aspects (code 845X)

mm topic interdisciplinary data side
type: Class
subclass of: mm topic data
subclass of: mm topic interdisciplinary
subclass of: mm topic side
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant data-science and side-interest aspects
comment: an interdisciplinary topic beyond UG level that mainly combines data-science and side-interest aspects (code 849X)

mm topic interdisciplinary data social
type: Class
subclass of: mm topic data
subclass of: mm topic interdisciplinary
subclass of: mm topic social
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant data-science and socio-economic aspects
comment: an interdisciplinary topic beyond UG level that mainly combines data-science and socio-economic aspects (code 846X)

mm topic interdisciplinary data theoretical
type: Class
subclass of: mm topic data
subclass of: mm topic interdisciplinary
subclass of: mm topic theoretical
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant data-science and theoretical aspects
comment: an interdisciplinary topic beyond UG level that mainly combines data-science and theoretical aspects (code 847X)

mm topic interdisciplinary materials side
type: Class
subclass of: mm topic interdisciplinary
subclass of: mm topic materials
subclass of: mm topic side
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant material-property and side-interest aspects
comment: an interdisciplinary topic beyond UG level that mainly combines material-property and side-interest aspects (code 859X)

mm topic interdisciplinary materials social
type: Class
subclass of: mm topic interdisciplinary
subclass of: mm topic materials
subclass of: mm topic social
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant material-property and socio-economic aspects
comment: an interdisciplinary topic beyond UG level that mainly combines material-property and socio-economic aspects (code 856X)

mm topic interdisciplinary materials theoretical
type: Class
subclass of: mm topic interdisciplinary
subclass of: mm topic materials
subclass of: mm topic theoretical
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant material-property and theoretical aspects
comment: an interdisciplinary topic beyond UG level that mainly combines material-property and theoretical aspects (code 857X)

mm topic interdisciplinary social side
type: Class
subclass of: mm topic interdisciplinary
subclass of: mm topic side
subclass of: mm topic social
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant socio-economic and side-interest aspects
comment: an interdisciplinary topic beyond UG level that mainly combines socio-economic and side-interest aspects (code 869X)

mm topic interdisciplinary social theoretical
type: Class
subclass of: mm topic interdisciplinary
subclass of: mm topic social
subclass of: mm topic theoretical
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant socio-economic and theoretical aspects
comment: an interdisciplinary topic beyond UG level that mainly combines socio-economic and theoretical aspects (code 867X)

mm topic interdisciplinary theoretical side
type: Class
subclass of: mm topic interdisciplinary
subclass of: mm topic side
subclass of: mm topic theoretical
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Interdisciplinary studies with significant theoretical and side-interest aspects
comment: an interdisciplinary topic beyond UG level that mainly combines theoretical and side-interest aspects (code 879X)

mm topic materials
type: Class
subclass of: mm topic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Materials (beyond basic prerequisites)
comment: a topic related to materials, including but not limited to fluids, and their properties (code 5XXX if unique, 8XXX if interdisciplinary)

mm topic materials bio
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Biomaterials
comment: a topic that relates to biomaterials (codes 5300 to 5349)

mm topic materials ceramic
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Ceramics
comment: a topic that relates to ceramic materials (codes 5350 to 5399)

mm topic materials composite
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Composites
comment: a topic that relates to composite materials (codes 5400 to 5449)

mm topic materials electrolyte
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Electrolytes
comment: a topic that relates to electrolyte materials (codes 5450 to 5499)

mm topic materials fluid
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Fluids
comment: a topic that relates to soft-matter science and engineering and fluid materials (code 52XX)

mm topic materials general
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Materials science and engineering (combining multiple or all fields)
comment: a topic that relates to multiple or all fields of materials science and engineering (code 51XX)

mm topic materials metal
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Metals
comment: a topic that relates to metals (codes 5500 to 5549)

mm topic materials mineral
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Minerals
comment: a topic that relates to minerals (codes 5550 to 5599)

mm topic materials nano
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Nanomaterials
comment: a topic that relates to nanostructured, dispersed, or nanoscopic materials (codes 5600 to 5649)

mm topic materials organic
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Organic chemistry and related materials science and engineering
comment: a topic that relates to organic matter in materials science and engineering (codes 5650 to 5699)

mm topic materials polymer
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Polymers
comment: a topic that relates to electrolyte materials (codes 5700 to 5749)

mm topic materials semiconductor
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Semiconductors
comment: a topic that relates to semiconductor materials (codes 5750 to 5799)

mm topic materials special
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Specific phenomena in materials science and engineering
comment: a topic that relates to specific phenomena in materials science and engineering (code 59XX)

mm topic materials ultracold
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Low-temperature materials science and engineering
comment: a topic that relates to ultracold materials science and engineering (codes 5800 to 5849)

mm topic materials unstable
type: Class
subclass of: mm topic materials
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Unstable, metastable, and transition states of materials
comment: a topic that relates to unstable, metastable, and transition states of materials (codes 5850 to 5899)

mm topic side
type: Class
subclass of: mm topic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Side interests (general)
comment: a topic from other disciplines that can be a side interest from the point of view of materials modelling (code 9XXX)

mm topic social
type: Class
subclass of: mm topic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Social, economic, community (beyond basic prerequisites)
comment: a topic related to social, economic, and community aspects of materials modelling (code 6XXX if unique, 8XXX if interdisciplinary)

mm topic social industrial
type: Class
subclass of: mm topic social
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Industrial production/manufacturing
comment: a topic that relates to industrial production/manufacturing (code 61XX)

mm topic social industrial aerospace
type: Class
subclass of: mm topic social industrial transport
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Production/manufacturing in the aerospace sector
comment: a topic that relates to production/manufacturing in the aerospace sector (code 6142/6143)

mm topic social industrial automotive
type: Class
subclass of: mm topic social industrial transport
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Production/manufacturing in the automotive sector
comment: a topic that relates to production/manufacturing in the automotive sector (code 6144-6147)

mm topic social industrial biotechnology
type: Class
subclass of: mm topic social industrial
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Production/manufacturing in biotechnology (excluding pharmaceutical applications)
comment: a topic that relates to production/manufacturing in biotechnology, excluding pharmaceutical applications (codes 6150 to 6154)

mm topic social industrial chemical
type: Class
subclass of: mm topic social industrial
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Production/manufacturing in the chemical industry (including polymers, excluding the petrochemical industry)
comment: a topic that relates to production/manufacturing in the chemical industry, including polymers, but excluding the petrochemical industry (codes 612X)

mm topic social industrial electrical
type: Class
subclass of: mm topic social industrial
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Production/manufacturing of electrical products and equipment
comment: a topic that relates to production/manufacturing of electrical products and equipment (codes 6170 to 6174)

mm topic social industrial food
type: Class
subclass of: mm topic social industrial
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Production/manufacturing in food-related industries (including beverages and tobacco)
comment: a topic that relates to production/manufacturing in food-related industries, including beverages and tobacco (codes 6155 to 6159)

mm topic social industrial machinery
type: Class
subclass of: mm topic social industrial
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Production/manufacturing of industrial machinery and equipment
comment: a topic that relates to production/manufacturing of industrial machinery and equipment (codes 6175 to 6179)

mm topic social industrial medicine
type: Class
subclass of: mm topic social industrial
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Production/manufacturing in industries related to pharmaceutical and medical applications
comment: a topic that relates to production/manufacturing in industries related to pharmaceutical and medical applications (codes 6160 to 6164)

mm topic social industrial metal
type: Class
subclass of: mm topic social industrial
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Production/manufacturing of basic and fabricated metal
comment: a topic that relates to the production/manufacturing of basic and fabricated metal (code 618X)

mm topic social industrial paper
type: Class
subclass of: mm topic social industrial
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Production/manufacturing of wood and paper based products (including printing)
comment: a topic that relates to production/manufacturing of wood and paper based products, including printing (codes 6165 to 6169)

mm topic social industrial petrochemical
type: Class
subclass of: mm topic social industrial
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Production/manufacturing in the petrochemical industry
comment: a topic that relates to production/manufacturing in the petrochemical industry (codes 613X)

mm topic social industrial railway
type: Class
subclass of: mm topic social industrial transport
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Production/manufacturing in the railway sector
comment: a topic that relates to production/manufacturing in the railway sector (code 6148)

mm topic social industrial special
type: Class
subclass of: mm topic social industrial
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Specific aspects or fields of industrial production/manufacturing
comment: a topic that relates to specific aspects or fields of industrial production/manufacturing (code 619X)

mm topic social industrial transport
type: Class
subclass of: mm topic social industrial
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Production/manufacturing in transportation-related industries (e.g., automotive, aerospace, and railway related manufacturing)
comment: a topic that relates to production/manufacturing in transportation-related industries, e.g., automotive, aerospace, and railways (code 614X)

mm topic theoretical
type: Class
subclass of: mm topic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical (beyond basic prerequisites; excluding computational and numerical aspects)
comment: a topic related to (non-computational) theoretical aspects of materials modelling (code 7XXX if unique, 8XXX if interdisciplinary)

mm topic theoretical AM1
type: Class
subclass of: mm topic theoretical discrete
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equations A.1/M.1
type: NamedIndividual
refers to: PE type A.1: Classical-mechanical density functional theory (atomistic)
refers to: PE type M.1: Classical-mechanical density functional theory (mesoscopic)
comment: theoretical aspects of physical equations A.1/M.1 (code 722X)

mm topic theoretical AM2
type: Class
subclass of: mm topic theoretical discrete
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equations A.2/M.2
type: NamedIndividual
refers to: PE type A.2: Molecular statics (atomistic), energy minimization
refers to: PE type M.2: Molecular statics (mesoscopic), i.e., energy minimization
comment: theoretical aspects of physical equations A.2/M.2 (code 723X)

mm topic theoretical AM3
type: Class
subclass of: mm topic theoretical discrete
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equations A.3/M.3
type: NamedIndividual
refers to: PE type A.3: Molecular dynamics (atomistic)
refers to: PE type M.3: Molecular dynamics (mesoscopic), i.e., coarse-grained or united-atom modelling
comment: theoretical aspects of physical equations A.3/M.3 (code 724X)

mm topic theoretical AM4
type: Class
subclass of: mm topic theoretical discrete
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equations A.4/M.4
type: NamedIndividual
refers to: PE type A.4: Partition function (atomistic), e.g., for a Monte Carlo solver
refers to: PE type M.4: Partition function (mesoscopic), e.g., for a Monte Carlo solver
comment: theoretical aspects of physical equations A.4/M.4 (code 725X)

mm topic theoretical AM5
type: Class
subclass of: mm topic theoretical discrete
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equations A.5/M.5
type: NamedIndividual
refers to: PE type A.5: Atomistic spin model
refers to: PE type M.5: Micromagnetism model
comment: theoretical aspects of physical equations A.5/M.5 (code 726X)

mm topic theoretical AM6
type: Class
subclass of: mm topic theoretical discrete
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Computational aspects of physical equations A.6/M.6
type: NamedIndividual
refers to: PE type A.6: Statistical transport model (atomistic)
refers to: PE type M.6: Statistical transport model (mesoscopic)
comment: theoretical aspects of physical equations A.6/M.6 (code 727X)

mm topic theoretical CO1
type: Class
subclass of: mm topic theoretical continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equation CO.1
type: NamedIndividual
refers to: PE type CO.1: Continuum solid mechanics
comment: theoretical aspects of physical equation CO.1 (code 732X)

mm topic theoretical CO2
type: Class
subclass of: mm topic theoretical continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equation CO.2
type: NamedIndividual
refers to: PE type CO.2: Continuum fluid mechanics
comment: theoretical aspects of physical equation CO.2 (code 733X)

mm topic theoretical CO3
type: Class
subclass of: mm topic theoretical continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equation CO.3
type: NamedIndividual
refers to: PE type CO.3: Continuum modelling of heat transfer and thermomechanics
comment: theoretical aspects of physical equation CO.3 (code 734X)

mm topic theoretical CO4
type: Class
subclass of: mm topic theoretical continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equation CO.4
type: NamedIndividual
refers to: PE type CO.4: Phase field model or continuum density gradient theory
comment: theoretical aspects of physical equation CO.4 (code 735X)

mm topic theoretical CO5
type: Class
subclass of: mm topic theoretical continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equation CO.5
type: NamedIndividual
refers to: PE type CO.5: Continuum thermodynamics
comment: theoretical aspects of physical equation CO.5 (code 736X)

mm topic theoretical CO6
type: Class
subclass of: mm topic theoretical continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equation CO.6
type: NamedIndividual
refers to: PE type CO.6: Continuum modelling of chemical reaction kinetics
comment: theoretical aspects of physical equation CO.6 (code 737X)

mm topic theoretical CO7
type: Class
subclass of: mm topic theoretical continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equation CO.7
type: NamedIndividual
refers to: PE type CO.7: Continuum electromagnetism model (including optics, magnetism, etc.)
comment: theoretical aspects of physical equation CO.7 (code 738X)

mm topic theoretical CO8
type: Class
subclass of: mm topic theoretical continuum
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equation CO.8
type: NamedIndividual
refers to: PE type CO.8: Continuum process model (including devices and components of chemical/mechanical processes, flow-chart models, etc.)
comment: theoretical aspects of physical equation CO.8 (code 739X)

mm topic theoretical EL1
type: Class
subclass of: mm topic theoretical electronic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equation EL.1
type: NamedIndividual
refers to: PE type EL.1: Ab-initio quantum mechanical (or first principle) model
comment: theoretical aspects of physical equation EL.1 (code 712X)

mm topic theoretical EL2
type: Class
subclass of: mm topic theoretical electronic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equation EL.2
type: NamedIndividual
refers to: PE type EL.2: Electronic many-body and/or effective Hamiltonian model
comment: theoretical aspects of physical equation EL.2 (code 713X)

mm topic theoretical EL3
type: Class
subclass of: mm topic theoretical electronic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equation EL.3
type: NamedIndividual
refers to: PE type EL.3: QM model of the response to time-dependent fields
comment: theoretical aspects of physical equation EL.3 (code 714X)

mm topic theoretical EL4
type: Class
subclass of: mm topic theoretical electronic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equation EL.4, i.e., non-equilibrium Green's functions (NEGF)
type: NamedIndividual
refers to: PE type EL.4: Statistical charge transport model
comment: theoretical aspects of physical equation EL.4 (code 715X)

mm topic theoretical EL5
type: Class
subclass of: mm topic theoretical electronic
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of physical equation EL.5
type: NamedIndividual
refers to: PE type EL.5: Statistical electron spin transport model
comment: theoretical aspects of physical equation EL.5 (code 716X)

mm topic theoretical continuum
type: Class
subclass of: mm topic theoretical
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of (non-electronic, classical-mechanical) continuum modelling
comment: theoretical aspects of (non-electronic, classical-mechanical) continuum modelling (code 73XX)

mm topic theoretical discrete
type: Class
subclass of: mm topic theoretical
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of discrete (atomistic and mesoscopic) modelling
comment: theoretical aspects of discrete (atomistic and mesoscopic) modelling (code 72XX)

mm topic theoretical electronic
type: Class
subclass of: mm topic theoretical
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of electronic modelling
comment: theoretical aspects of electronic modelling (code 71XX)

mm topic theoretical mechanics
type: Class
subclass of: mm topic theoretical
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of classical and/or quantum mechanics
comment: theoretical aspects of classical and/or quantum mechanics (code 78XX)

mm topic theoretical multiphase
type: Class
subclass of: mm topic theoretical
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of interfacial phenomena and multiphase or heterogeneous systems
comment: theoretical aspects of interfacial phenomena and multiphase or heterogeneous systems (code 75XX)

mm topic theoretical non equilibrium
type: Class
subclass of: mm topic theoretical
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of non-equilibrium states and physical processes
comment: theoretical aspects of non-equilibrium states and physical processes (code 74XX)

mm topic theoretical statistical
type: Class
subclass of: mm topic theoretical
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of statistical mechanics and statistical approaches to materials modelling
comment: theoretical aspects of statistical mechanics and statistical approaches to materials modelling (code 76XX)

mm topic theoretical thermodynamics
type: Class
subclass of: mm topic theoretical
subclass of: Restriction
  on property: is conceptualized by
  has value: Topic: Theoretical aspects of phenomenological thermodynamics
comment: theoretical aspects of phenomenological thermodynamics (code 77XX)

operand specifier
type: Class
subclass of: specifier
comment: operand specifier, i.e., an entity acted upon by an operator specifier

operator level
type: Class
subclass of: focus
subclass of: Restriction
  on property: is conceptualized by
  has value: Any level
comment: operator level, i.e., a requirement level for competency statement operators

operator specifier
type: Class
subclass of: specifier
subclass of: Restriction
  on property: is expressed by
  some values from: Literal
comment: operator specifier, i.e., the type of activity facilitated by an acquisition of the specified competency

physics subject heading
type: Class
subclass of: topic
subclass of: Restriction
  on property: has physh label
  some values from: string
subclass of: Restriction
  on property: has physh id
  cardinality: 1
comment: physics subject heading, i.e., a topic included in the PhySH list developed by the APS

presentation
type: Class
subclass of: document
comment: presentation, i.e., a document that can be presented to a group of people as is

publication
type: Class
subclass of: document
type: NamedIndividual
comment: publication as defined by the IAO

recording
type: Class
subclass of: presentation
comment: recording, i.e., a recorded presentation

scientific publication
type: Class
subclass of: publication
subclass of: Restriction
  on property: is cited as
  some values from: citation
type: NamedIndividual
comment: scientific publication, i.e., a publication about an investigation, as defined by the IAO

slide presentation
type: Class
subclass of: presentation
comment: slide presentation, i.e., a presentation in the form of slides

specifier
type: Class
subclass of: focus
subclass of: Restriction
  on property: has specifier descriptor
  some values from: Literal
comment: specifier, i.e., a constitutive element of a learning outcome (acquired competency) description

syllabus
type: Class
equivalent class: Syllabus
subclass of: document
type: NamedIndividual
comment: a syllabus as defined by CCSO

topic
type: Class
equivalent class: Topic
subclass of: Sign
subclass of: conceptualization
subclass of: focus
type: NamedIndividual
comment: a topic as defined by CCSO

training document
type: Class
equivalent class: Class
  intersection of: document
  intersection of: carrier
subclass of: IAO_0000310
subclass of: document
subclass of: carrier
comment: a training document is a document (as defined by IAO) that is related to training content on a virtual marketplace

training event
type: Class
equivalent class: Event
equivalent class: Class
  intersection of: calendar event
  intersection of: carrier
subclass of: calendar event
subclass of: carrier
subclass of: Vevent
type: NamedIndividual
comment: a training event is a (potential) virtual marketplace calendar event at which training activities occur, same as Event from CCSO

training service
type: Class
subclass of: tradeable object
comment: a training service is a tradeable object that provides training contents or activities

training unit
type: Class
equivalent class: Class
  intersection of: course
  intersection of: Restriction
    on property: has training unit
    cardinality: 0
subclass of: course
comment: an elementary (part of a) course that is not further subdivided into course parts

video citation
type: Class
equivalent class: Class
  intersection of: citation
  intersection of: Restriction
    on property: is citation about document
    some values from: video recording
subclass of: citation
comment: video citation, i.e., a citation that is about a video recording

video recording
type: Class
subclass of: recording
comment: video recording, i.e., a recording with video content

academic title
type: Class
subclass of: titular rank
disjoint union of: doctoral title
disjoint union of: nondoctoral title
disjoint union of: postdoctoral title
comment: academic title, i.e., a titular rank that corresponds to an academic degree

access rule
type: Class
subclass of: annotation
comment: access rule, i.e., a communication annotation that specifies who is allowed to read the communicated content

agent assembly
type: Class
subclass of: agent
comment: agent assembly, i.e., an agent entity that can have other agents as temporary or permanent constituent members

appendix
type: Class
subclass of: statement
comment: appendix, i.e., a statement that cannot stand alone and needs to be combined with a communication body

certifier
type: Class
subclass of: agent
disjoint union of: certifying expert
disjoint union of: certifying resource
comment: certifier, i.e., an agent who can issue certificates (communications that contain assessments)

certifying expert
type: Class
equivalent class: Class
  intersection of: expert
  intersection of: certifier
subclass of: expert
subclass of: certifier
comment: certifying expert, i.e., a certifier who is also an expert

certifying resource
type: Class
equivalent class: Class
  intersection of: certifier
  intersection of: Class
    complement of: human agent
subclass of: certifier
comment: certifying resource, i.e., a certifier who is not a human agent

collocution
type: Class
subclass of: interlocution
subclass of: Restriction
  on property: follows
  some values from: message
comment: collocution, i.e., an interlocution which, as its main feature or purpose, comments or adds material or data to another message

comment
type: Class
subclass of: collocution
subclass of: Restriction
  on property: has commented message
  some values from: message
subclass of: Restriction
  on property: has text content
  some values from: string
comment: comment, i.e., a collocution that serves the purpose of commenting on another message

completed status
type: Class
equivalent class: Restriction
  on property: has fractional progress
  has value: 1.0
subclass of: processed status
comment: completed status, i.e., a processed status expressing 1.0 fractional progress (100% completion)

country
type: Class
equivalent class: Country
subclass of: annotation
type: NamedIndividual
comment: country code defined following ISO 3166 as implemented by the LCR ontology

doctoral title
type: Class
subclass of: academic title
comment: doctoral title, i.e., an academic title that signifies the possession of a doctorate degree

interlocutor
type: Class
subclass of: agent
comment: interlocutor, i.e., an entity that can (potentially) send and receive communications at a virtual marketplace

interlocutor group
type: Class
equivalent class: Class
  one of: Consultant
  one of: Data provider
  one of: End user
  one of: Guest
  one of: Manufacturer
  one of: Model provider
  one of: Software owner
  one of: Training provider
  one of: Translator
subclass of: conceptualization
subclass of: interlocutor type
comment: Interlocutor groups are conceptualizations for subclasses of the concept 'interlocutor'.

interlocutor tag
type: Class
subclass of: interlocutor type
comment: interlocutor tag, i.e., an interlocutor type that specifies properties of an interlocutor which may co-determine the ability/suitability for trading with certain partners at a digital marketplace

interlocutor type
type: Class
subclass of: annotation
comment: Interlocutor type, i.e., an annotation that characterizes kinds of interlocutors

label
type: Class
subclass of: annotation
comment: label, i.e., a remark or information item that can be carried by (i.e., associated with) a communication

legal communication
type: Class
subclass of: communication
comment: legal communication, i.e., a communication which, as its main feature or purpose, relates to legal, financial, or contractual issues

legal statement
type: Class
equivalent class: Class
  intersection of: statement
  intersection of: legal communication
subclass of: statement
subclass of: legal communication
comment: legal statement, i.e., a statement which, as its main feature or purpose, relates to legal, financial, or contractual issues

marketplace subject
type: Class
equivalent class: Class
  intersection of: stakeholder
  intersection of: interlocutor
subclass of: stakeholder
subclass of: interlocutor
comment: marketplace subject, i.e., an interlocutor who acts at one or multiple virtual marketplaces

message
type: Class
subclass of: communication
subclass of: Restriction
  on property: is on marketplace
  some values from: digital marketplace
subclass of: Restriction
  on property: has access rule
  cardinality: 1
disjoint union of: declaration
disjoint union of: interlocution
comment: message, i.e., a stand-alone communication (as opposed to an appendix)

nondoctoral title
type: Class
subclass of: academic title
comment: nondoctoral title, i.e., an academic title which does not confer a doctorate and also usually does not require a doctorate

person
type: Class
subclass of: agent
disjoint union of: human agent
disjoint union of: virtual agent
comment: person, i.e., a stand-alone agent that does not have multiple constituent parts or components each of which could, e.g., act at a digital marketplace by themselves

personal title
type: Class
subclass of: annotation
comment: personal title, i.e., a title that can be carried by a human agent in association with the name

postdoctoral title
type: Class
subclass of: academic title
comment: postdoctoral title, i.e., an academic title that is usually only conferred on people with a doctorate

processed status
type: Class
subclass of: status
comment: processed status, i.e., a status expressing to what extent a communication and/or its contents or associated tasks have been processed or carried out

read status
type: Class
subclass of: status
comment: read status, i.e., a status expressing that a communication has been read

sent status
type: Class
subclass of: status
comment: sent status, i.e., a status expressing that a communication has been sent

signal i like
type: Class
subclass of: signal statement
comment: signal i like, communicating that the author approves of the followed message

signal statement
type: Class
subclass of: statement
subclass of: collocution
subclass of: Restriction
  on property: follows
  cardinality: 1
comment: signal statement, i.e., a standardized shorthand reaction to another message

status
type: Class
subclass of: label
comment: status, i.e., a label that expresses information on the submission, reading, or exchange process of a communication

task
type: Class
equivalent class: Class
  intersection of: message
  intersection of: Restriction
    on property: has assignee
    some values from: agent
subclass of: message
comment: task, i.e., a message that has an assignee

technology transfer institute
type: Class
subclass of: institution
subclass of: translator
comment: Technology Transfer Institute (TTI), cf. the EMMC Translation Case Template

titular rank
type: Class
subclass of: personal title
comment: titular rank, i.e., a personal title that is part of a hierarchy of titles

translation communication
type: Class
subclass of: communication
comment: translation communication, i.e., a communication which, as its main feature or purpose, relates to translation

validation communication
type: Class
subclass of: communication
comment: validation communication, i.e., a communication which, as its main feature or purpose, relates to validation

virtual agent
type: Class
subclass of: person
comment: virtual agent, i.e., any person that is not a human agent (this includes bots/engines, agent pseudonyms, etc.)

amber ff
type: Class
subclass of: force field
comment: Assisted Model Building with Energy Refinement (AMBER) Force Field is a family of force fields. Not to be confused with the related software tool.

angle potential
type: Class
subclass of: bonding potential
subclass of: three body potential
comment: Angular three-body potential between particles within a molecule.

aua ff
type: Class
subclass of: force field
comment: Anisotropic United Atom force field.
see also: Ungerer et al., J. Chem. Phys. 112(12), 5499-5510, 2000.

bonding potential
type: Class
subclass of: potential
comment: A potential defined between particles within a molecule. Sometimes called 'intra-molecular' potential.

buckingham
type: Class
subclass of: non bonding potential
subclass of: two body potential
see also: R. A. Buckingham and John Edward Lennard-Jones, The classical equation of state of gaseous helium, neon and argon, Proc. R. Soc. Lond. A., 168, 1938.

charge dipole site
type: Class
subclass of: interaction site
subclass of: Restriction
  on property: is involved in
  some values from: electrostatic potential
subclass of: Restriction
  on property: has attached variable
  qualified cardinality: 1
  on class: object electric dipole moment

charge quadrupole site
type: Class
subclass of: interaction site
subclass of: Restriction
  on property: is involved in
  some values from: electrostatic potential
subclass of: Restriction
  on property: has attached variable
  qualified cardinality: 1
  on class: object electric quadrupole moment

charge site
type: Class
subclass of: interaction site
subclass of: Restriction
  on property: is involved in
  some values from: electrostatic potential
subclass of: Restriction
  on property: has attached variable
  qualified cardinality: 1
  on class: object electric charge

charge smearing
type: Class
subclass of: am solver feature
subclass of: Restriction
  on property: involves
  has value: CHARGE SMEARING LENGTH
comment: Charge smearing is sometimes used in combination with soft potentials (e.g., dpd potential) to avoid the divergence of the interaction energy of opposite charges.

charmm ff
type: Class
subclass of: force field
comment: Chemistry at Harvard Macromolecular Mechanics (CHARMM) Force Field is a family of force fields. Not to be confused with the related software tool.

combination rule
type: Class
subclass of: rule
comment: Combination rules or combining rules are equations that can be used to define the interaction parameters between unlike species combining the like-like ones. They apply to non-bonding forces.

composite object
type: Class
subclass of: model object
subclass of: Restriction
  on property: has part
  min qualified cardinality: 2
  on class: structureless object
comment: A model object having as parts two or more model objects, which can be connected or not. For example: a molecule made of two bonded atoms; a polymer made of bonded monomers; or an unbonded pair made of a negative and a positive ion. Such unconnected objects are sometimes defined for convenience (e.g., to ensure the populations of two species are the same).

composite potential
type: Class
subclass of: am materials relation trait
subclass of: Restriction
  on property: has part
  min qualified cardinality: 2
  on class: potential
comment: A potential that is defined by more than just one single functional form acting between a pair of species. For example, it is the sum of two or more potentials having different functional forms (e.g., a stretching potential and an angle potential) and/or it applies to at least two pairs of species with different parameters (e.g., a Mie potential between species pairs {A,A}, {A,B} and {B,B}). It can contain combination and/or exclusion rules.

dihedral potential
type: Class
subclass of: bonding potential
subclass of: four body potential
comment: Dihedral four-body potential between particles within a molecule. It describes the interaction arising from torsional forces in molecules. Sometimes referred to as torsion potentials.

dissipative particle dynamics
type: Class
subclass of: R IS MESOSCOPIC
subclass of: am model type
comment: Dissipative Particle Dynamics.

dpd potential
type: Class
subclass of: non bonding potential
subclass of: R IS MESOSCOPIC
comment: Potential to be used in Dissipative Particle Dynamics simulations.

dpd site
type: Class
subclass of: interaction site
subclass of: Restriction
  on property: is involved in
  some values from: dpd potential
comment: It is the center of a DPD bead.

dreiding ff
type: Class
subclass of: force field
comment: DREIDING is a generic force field for molecular simulations.
see also: Mayo, S. L., Olafson, B. D., and Goddard, W. A., 1990, J. Phys. Chem., 94, 8897

electrostatic potential
type: Class
subclass of: non bonding potential
subclass of: two body potential
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: electrostatic force constant

electrostatics solver
type: Class
subclass of: am solver feature
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: electrostatic force constant

exclusion rule
type: Class
subclass of: rule
comment: Exclusion rules are rules that affect the strength of non-bonding forces within a molecule. In some communities, typically 1-2, 1-3 and 1-4 interactions are switched off or scaled.

external conservative field
type: Class
subclass of: external field
subclass of: Restriction
  on property: is mathematically related to
  min qualified cardinality: 1
  on class: external potential

external potential
type: Class
subclass of: potential
subclass of: am external condition trait
subclass of: Restriction
  on property: is mathematically related to
  min qualified cardinality: 1
  on class: external conservative field

force field
type: Class
subclass of: composite potential
comment: A Force Field (FF), despite the name, in some areas (as computational chemistry and molecular simulations) refers to the functional form and parameter sets used to calculate the potential energy of a system of particles (atoms or coarse-grained particles). Families of popular FFs exist: they are typically developed witin a community, for a class of materials and using a certain metodology.
comment: Called Interatomic Potential in the physics community.

gaff ff
type: Class
subclass of: force field
comment: Generalized AMBER force field.
see also: Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, David A. Case, 'Development and testing of a general amber force field',J. Comput. Chem. 25, 1157 (2004).

gromos ff
type: Class
subclass of: force field
comment: GROningen MOlecular Simulation (GROMOS) Force Field is a family of force fields. Not to be confused with the related software tool.

hard sphere potential
type: Class
subclass of: non bonding potential
subclass of: two body potential
comment: Hard-sphere potential.

improper potential
type: Class
subclass of: bonding potential
subclass of: four body potential
comment: Improper dihedral four-body potential between particles within a molecule. It is used to restrict the geometry of a molecule.

integrator
type: Class
subclass of: am solver feature
subclass of: Restriction
  on property: involves
  has value: NUMBER OF EQUILIBRATION TIME STEPS
subclass of: Restriction
  on property: involves
  has value: NUMBER OF TIME STEPS
subclass of: Restriction
  on property: involves
  has value: TIME STEP
comment: An algorithm to integrate Newton second law.

interaction plane
type: Class
subclass of: interaction surface
comment: A planar surface which affects interactions, for example a planar wall.

interaction site
type: Class
subclass of: Symbol
subclass of: structureless object
subclass of: model object
disjoint with: interaction surface
comment: An interaction site is a point which is involved in (experiences) some interaction. It can represent the center of a physical particle (an atom, a coarse-grained bead), but also be a ficticious particle.
comment: For example: consider three sites, one carries a mass, one an electric charge +q, the other a charge -q. The three sites individually have no physical counterpart; however, combined together, they allow to model an object that has a mass and a charge dipole moment.

interaction surface
type: Class
subclass of: structureless object
comment: A surface which affects interactions, for example a wall. It is described as a continuum surface, not as a collection of sites.

martini ff
type: Class
subclass of: force field
comment: The Martini force field is a coarse-grained (CG) force field suited for molecular dynamics simulations of biomolecular systems.
see also: S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. 'The MARTINI forcefield: coarse grained model for biomolecular simulations'. J. Phys. Chem. B, 111:7812-7824, 2007.

mass site
type: Class
subclass of: interaction site
subclass of: Restriction
  on property: has attached variable
  qualified cardinality: 1
  on class: object mass

mie potential
type: Class
subclass of: non bonding potential
subclass of: two body potential
subclass of: Restriction
  on property: involves
  has value: MIE ATTRACTIVE EXPONENT
subclass of: Restriction
  on property: involves
  has value: MIE EPSILON
subclass of: Restriction
  on property: involves
  has value: MIE REPULSIVE EXPONENT
subclass of: Restriction
  on property: involves
  has value: MIE SIGMA
comment: Mie n-m potential. It includes the Lennard-Jones potential as a special case.
see also: Gustav Mie,'Zur kinetischen Theorie der einatomigen Körper', Annalen der Physik 11 pp. 657-697 (1903).
see also: J. E. Jones. On the determination of molecular fields. II. From the equation of state of a gas. Proceedings of the Royal Society of London Series A, 106(738):463–477, October 1924.

minimization
type: Class
subclass of: am solver feature
comment: An algorithm for energy minimization/geometry optimization.

model object
type: Class
subclass of: am materials relation trait
subclass of: model object
disjoint union of: composite object
disjoint union of: structureless object
comment: Type of object entering the model (e.g., rigid, flexible, or structureless objects).

molecular dynamics
type: Class
subclass of: R IS ATOMISTIC
subclass of: R IS MESOSCOPIC
subclass of: am model type
comment: Molecular Dynamics.

molecular mechanics
type: Class
subclass of: R IS ATOMISTIC
subclass of: R IS MESOSCOPIC
subclass of: am model type
comment: Molecular Mechanics or Molecular Statics.

molecular monte carlo
type: Class
subclass of: R IS ATOMISTIC
subclass of: R IS MESOSCOPIC
subclass of: am model type
comment: Molecular Monte Carlo method.

non bonding potential
type: Class
subclass of: potential
disjoint union of: buckingham
disjoint union of: dpd potential
disjoint union of: electrostatic potential
disjoint union of: metal potential
disjoint union of: mie potential
comment: A potential defined between particles of given species, that is not associated to bonding and acts between and within molecules. It is commonly switched off for 'closest' particles. Sometimes called 'inter-molecular potential', even if this is strictly correct only for small molecules, not for bigger ones.

non conservative force
type: Class
subclass of: am materials relation trait
comment: Non-conservative force, typically appearing in coarse-grained models. For example, random and drag forces in Dissipative Particle Dynamics, that together act as a thermostat.

opls ff
type: Class
subclass of: force field
comment: Optimized Potentials for Liquid Simulations (OPLS) is a family of force fields. It contains both All-Atomistic (AA) and United-Atom (UA) force fields.
see also: Jorgensen WL, Maxwell DS, Tirado-Rives J (1996). 'Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids'. J. Am. Chem. Soc. 118 (45): 11225–11236.
see also: Jorgensen WL, Tirado-Rives J (1988). 'The OPLS Force Field for Proteins. Energy Minimizations for Crystals of Cyclic Peptides and Crambin'. J. Am. Chem. Soc. 110 (6): 1657–1666.'.

pcff ff
type: Class
subclass of: force field
comment: Polycarbonate Compatible Force Field.
see also: Huai Sun, Stephen J. Mumby, Jon R. Maple, and Arnold T. Hagler, 'An ab Initio CFF93 All-Atom Force Field for Polycarbonates', J. Am. Chem. Soc. 116, 2978-2987 (1994).

planar wall
type: Class
subclass of: interaction plane
subclass of: am external condition trait
comment: A planar wall (i.e, a boundary surface). It is described as a continuum, not as a collection of sites.

potential
type: Class
subclass of: am materials relation trait
comment: The mathematical expression (functional form) of a potential energy, i.e., of the energy associated with a conservative force. It is a building block of composite potentials (cf. composite_potential class). It can concern both interactions of particles between them and with the external world.

reaxff ff
type: Class
subclass of: force field
comment: ReaxFF: A Reactive Force Field for Hydrocarbons.
see also: van Duin, ACT; Dasgupta, S; Lorant, F; Goddard, WA, 'ReaxFF: A Reactive Force Field for Hydrocarbons.', J. Phys. Chem. A 105, 9396-9409 (2001)

site surface potential
type: Class
subclass of: potential
comment: A potential for the interaction between a site and a surface (e.g., between a particle and a wall).

stretching potential
type: Class
subclass of: bonding potential
subclass of: two body potential
comment: Bonding two-body potential between particles within a molecule. It is a function of the inter-particle distance.

trappe ff
type: Class
subclass of: force field
comment: Transferable Potentials for Phase Equilibria.
see also: Eggimann et al., Mol. Sim. 40(1-3), 101-105, 2014

uff ff
type: Class
subclass of: force field
comment: The Universal Force Field (UFF) is a full periodic-table force field.
see also: A. K. Rappe, C. J. Casewit, K. S. Colwell, W. A. Goddard, W. M. Skiff, 'UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations', J. Am. Chem. Soc. 114, 10024-10035 (1992).

wall site
type: Class
subclass of: interaction site
subclass of: am external condition trait
comment: A site that, together with others, forms a boundary wall. Such sites are typically frozen (i.e., their positions are fixed in time).

cell
type: Class
subclass of: structureless object
comment: A cell, i.e., an elementary volume element

composite object
type: Class
subclass of: model object
subclass of: Restriction
  on property: has part
  min qualified cardinality: 2
  on class: structureless object

computational fluid dynamics
type: Class
subclass of: co model type
comment: Computational Fluid Dynamics.

dirichlet bc
type: Class
subclass of: boundary condition
comment: Boundary condition where the value of a quantity is set on the specified boundary.

divergence scheme
type: Class
subclass of: spatial discretization scheme
comment: Schemes for discretization of the divergence of quantities.

domain 1d
type: Class
subclass of: continuum domain
comment: 1D description of the problem.

domain 2d
type: Class
subclass of: continuum domain
comment: 2D description of the problem.

domain 3d
type: Class
subclass of: continuum domain
comment: 3D description of the problem.

equation of state method
type: Class
subclass of: co model type
comment: Equation of State Method.

face
type: Class
subclass of: structureless object
comment: A face of a cell, i.e., an elementary surface element

fluid
type: Class
subclass of: composite object
subclass of: Restriction
  on property: has attached function
  qualified cardinality: 1
  on class: mass density field
subclass of: Restriction
  on property: has attached function
  qualified cardinality: 1
  on class: pressure field
subclass of: Restriction
  on property: has attached function
  qualified cardinality: 1
  on class: temperature field
subclass of: Restriction
  on property: has attached function
  qualified cardinality: 1
  on class: velocity field

fundamental eos
type: Class
subclass of: equation of state
comment: An equation of state (EOS) referring to a free energy (e.g., Helmhotz free energy) is denoted as a fundamental EOS.

gradient scheme
type: Class
subclass of: spatial discretization scheme
comment: Schemes for discretization of the gradient of quantities.

interaction surface
type: Class
subclass of: structureless object
comment: A surface which affects interactions, for example a wall. It is described as a continuum surface, not in terms of elementary faces.
see also: See also the interaction_surface class in VISO-AM

lct
type: Class
subclass of: molecular eos
comment: Lattice Cluster Theory.
see also: Jacek Dudowicz and Karl F. Freed, Effect of monomer structure and compressibility on the properties of multicomponent polymer blends and solutions: 1. Lattice cluster theory of compressible systems, Macromol. 24, 5076--5095, 1991.

mesh 1d
type: Class
subclass of: continuum mesh
comment: 1D continuum mesh.

mesh 2d
type: Class
subclass of: continuum mesh
comment: 2D continuum mesh.

mesh 3d
type: Class
subclass of: continuum mesh
comment: 3D continuum mesh.

model object
type: Class
subclass of: co materials relation trait
subclass of: model object
disjoint union of: composite object
disjoint union of: structureless object
comment: Type of object entering the model (e.g., a fluid or an interaction surface).

neumann bc
type: Class
subclass of: boundary condition
comment: Boundary condition where the value of a quantity is set on the specified boundary.

saft
type: Class
subclass of: molecular eos
comment: Statistical Associating Fluid Theory.
see also: Walter G. Chapman, Keith E. Gubbins, George Jackson, Maciej Radosz, New reference equation of state for associating liquids, Ind. Eng. Chem. Res. 29, 1709--1721, 1990.

spatial discretization scheme
type: Class
subclass of: co solver feature
comment: Schemes for discretization of quantities in space.

temporal discretization scheme
type: Class
subclass of: co solver feature
comment: Schemes for discretization of quantities in time.

thermal eos
type: Class
subclass of: equation of state
comment: An equation of state (EOS) involving pressure, density, temperature, composition is denoted as a thermal EOS.

basis set
type: Class
subclass of: el solver feature
subclass of: Restriction
  on property: involves
  has value: DIMENSION OF BASIS SET
comment: basis set expansion of electronic states
see also: Electronic Structure R. M. Martin 2004 Cambridge University Press

boundary condition
type: Class
subclass of: el external condition trait
comment: Boundary condition for DFT

classical object
type: Class
subclass of: model object
comment: A classical object, i.e., an object described at a classical mechanics level.
comment: For example, an object representing an atomic nucleus.
see also: See also the model_object class in VISO-AM

core electron treatment
type: Class
subclass of: wavefunction related feature
comment: Approach for core electrons

density functional theory
type: Class
subclass of: el model type
comment: (Quantum) Density Functional Theory.

electric field
type: Class
subclass of: hamiltonian related feature
subclass of: el external condition trait
comment: Inclusion of electric fields in DFT

electron diagonalization
type: Class
subclass of: el solver feature
comment: Algorithm that diagonalizes Kohn-Sham Hamiltonian

electron mixing
type: Class
subclass of: el solver feature
comment: Algorithm for mixing the electron densities during SCF

electron smearing
type: Class
subclass of: el solver feature
comment: Algorithm for the smearing of electronic populations

electron spin
type: Class
subclass of: el materials relation trait
comment: Inclusion of spin interaction in DFT

exact exchange
type: Class
subclass of: exchange correlation functional
see also: Modern Quantum Chemistry A. Szabo, N. S. Ostlund 1996 Dover books on Chemistry

exchange correlation correction
type: Class
subclass of: hamiltonian related feature
comment: DFT functional correction schemes

exchange correlation functional
type: Class
subclass of: hamiltonian related feature
comment: Exchange correlation potentials

generalized gradient approximation
type: Class
subclass of: exchange correlation functional
see also: Electronic Structure R. M. Martin 2004 Cambridge University Press

hamiltonian related feature
type: Class
subclass of: el materials relation trait
comment: Model features the constitute the construction of the electronic Hamiltonian

hubbard correction
type: Class
subclass of: exchange correlation correction
see also: Phys. Rev. B 44, 943 1991

hybrid functional
type: Class
subclass of: exchange correlation functional
see also: Electronic Structure R. M. Martin 2004 Cambridge University Press

ionic relaxation
type: Class
subclass of: el solver feature
comment: Algorithm for optimisation of the nuclear coordinates

kpoint mesh
type: Class
subclass of: el solver feature
comment: Algorithm for the generation of the kpoint grid

local density approximation
type: Class
subclass of: exchange correlation functional
comment: Local Density Approximation
see also: Electronic Structure R. M. Martin 2004 Cambridge University Press

meta generalized gradient approximation
type: Class
subclass of: exchange correlation functional
see also: Essentials of Computational Chemistry, 2nd Ed. C. J. Cramer 2004 John Wiley & Sons.

model object
type: Class
subclass of: el materials relation trait
subclass of: model object
disjoint union of: classical object
disjoint union of: quantum object
comment: Type of object entering the model (e.g., quantum or classical).

pseudopotential
type: Class
subclass of: core electron treatment
see also: Electronic Structure R. M. Martin 2004 Cambridge University Press

quantum object
type: Class
subclass of: model object
comment: A quantum object, i.e., an object described at a quantum mechanics level (for example, via a wavefunction).
comment: For example, an object representing an electronic cloud.

symmetry adapted solver
type: Class
subclass of: el solver feature
comment: Computation strategy based on system symmetries

van der waals density functional
type: Class
subclass of: exchange correlation functional
see also: J. Phys.: Condens. Matter 21 8 2009

wavefunction related feature
type: Class
subclass of: el materials relation trait
comment: Model features that relate to the electronic wavefunction

agent
type: Class
subclass of: interpreter
comment: An entity (individual, group, institution) that can potentially act on a virtual marketplace.

application programming interface
type: Class
subclass of: software interface
comment: application programming interface (API)

classifier
type: Class
subclass of: annotation
comment: A classifier (e.g., the granularity level) that is relevant for materials modelling software

command line interface
type: Class
subclass of: software interface
disjoint with: graphical user interface
comment: command line interface (CLI)

converter
type: Class
subclass of: post processing tool
comment: A tool that changes the data without altering the physical state itself (e.g., it changes the numerical representation of a state, cf. RoMM).

data interface
type: Class
subclass of: software interface
comment: interface for data, can be file-based or stream-based

extractor
type: Class
subclass of: post processing tool
comment: A tool that enriches the dataset/state description by further information calculated based on the information already contained in the state. Examples include averaging, interpolation and the calculation of physical quantities (cf. RoMM).

graphical user interface
type: Class
subclass of: software interface
comment: graphical user interface (GUI)

license
type: Class
subclass of: legal document
subclass of: Restriction
  on property: is conceptualized by
  has value: licence
comment: Regulation of the right to use, modify and distribute something, in this case software.
comment: Software license, as characterized in the Software Ontology (SWO)

license clause
type: Class
subclass of: information content entity
comment: License clause, as characterized in the Software Ontology (SWO)

model feature
type: Class
subclass of: marketplace related entity
comment: Capability of a software tool, intended as a model aspect that can be addressed. ('model' intended as in MODA).

model object
type: Class
subclass of: marketplace related entity
subclass of: Symbolic
subclass of: materials relation trait
comment: E.g., composite or structureless, rigid or flexible, classical or quantum objects.
comment: Type of object entering the model and carrying the degrees of freedom.

modeling related entity
type: Class
subclass of: marketplace related entity
comment: High level concept related to modelling, as statistical mechanics, the RoMM model types, fundamental physics equation, etc.

post processing tool
type: Class
subclass of: software tool
comment: A tool that processes the raw data obtained solving the governing equations. Note that this splitting between solving and processing is a logical one (cf. RoMM), it does not necessarily imply the existence of a separate piece of software. In fact, some of these post-processing functionalities are often embedded in the simulation engine itself (e.g., the calculation of the system energy in a MD simulation is typically done on the fly by the solver itself).

pre processing tool
type: Class
subclass of: software tool
comment: A tool that helps in setting up a simulation (e.g., to generate the initial configuration).

programming language
type: Class
subclass of: annotation
subclass of: Language
disjoint union of: c language
disjoint union of: cmake
disjoint union of: cpp
disjoint union of: cuda
disjoint union of: fortran
disjoint union of: mpi
disjoint union of: opencl
disjoint union of: openmp
disjoint union of: python
comment: A language that can be used to write software.

simulation engine
type: Class
subclass of: software tool
comment: A tool that solves the governing equations.

software
type: Class
subclass of: information content entity
subclass of: software infrastructure
disjoint union of: compiler
disjoint union of: operating system
disjoint union of: software tool
comment: A computer program. Can be a software tool, a compiler (lower level, closer to the hardware) or an operating system.

software interface
type: Class
subclass of: software infrastructure
comment: Interface between a software and a user or a client (i.e., a program or device)
comment: Some sub-classes of this class are taken from the SWO software interface class (swo:SWO_9000050)

software tool update
type: Class
subclass of: software update
subclass of: Restriction
  on property: adds feature
  all values from: software tool feature
subclass of: Restriction
  on property: removes feature
  all values from: software tool feature
subclass of: Restriction
  on property: has input
  qualified cardinality: 1
  on class: software tool
subclass of: Restriction
  on property: has output
  qualified cardinality: 1
  on class: software tool
subclass of: Restriction
  on property: has update comment
  all values from: string
comment: Allows to describe the addition/removal of features between versions of a software tool.

software update
type: Class
subclass of: process
subclass of: Process
subclass of: Restriction
  on property: has input
  qualified cardinality: 1
  on class: software
subclass of: Restriction
  on property: has output
  qualified cardinality: 1
  on class: software
subclass of: Restriction
  on property: has update comment
  all values from: string
comment: To describe (as text) the changes between versions of a software.

solver feature
type: Class
subclass of: marketplace related entity
comment: An aspect of the numerical method used to solve the governing equations.
comment: Capability of a software tool, intended as a numerical aspect or an algorithm which is implemented. ('solver' intended as in MODA)

visualizer
type: Class
subclass of: post processing tool
comment: A tool to read and visualize data (with no changes or additions to the data, cf. RoMM).

wrapper
type: Class
subclass of: software interface
comment: wrapper (interface): an outer (more abstract) layer as compared to an application programming interface, and usually providing a reduced and more specific set of functionalities

accuracy assertion
type: Class
subclass of: Mathematical
subclass of: assertion
disjoint union of: absolute deviation
disjoint union of: qualitative accuracy assertion
disjoint union of: relative deviation
comment: accuracy assertion, i.e., statement on an uncertainty, error, or deviation from the most accurate possible value

assertion
type: Class
subclass of: data item
subclass of: information content entity
subclass of: Symbolic
disjoint with: validation infrastructure
disjoint union of: accuracy assertion
disjoint union of: requirement assertion
disjoint union of: review assertion
comment: assertion, i.e., a claim or proposition (e.g., stated within an assessment)

certificate
type: Class
subclass of: validation statement
subclass of: Restriction
  on property: has certifier
  some values from: certifier
subclass of: Restriction
  on property: states assessment
  some values from: assessment
comment: certificate, i.e., a validation statement by which an assessment is stated

material property information
type: Class
subclass of: Sign
subclass of: material assertion
subclass of: Restriction
  on property: mereosemiotics is is
  some values from: material
subclass of: Restriction
  on property: mereosemiotics is is
  some values from: Material
subclass of: Restriction
  on property:
    inverse of: hasSign
  some values from: Property
comment: material property information, i.e., an assertion referring to a (thermodynamic or mechanical) material property

relative deviation
type: Class
subclass of: accuracy assertion
comment: relative deviation, i.e., an accuracy assertion in which the relative magnitude of an error or uncertainty is given, normalized by the absolute magnitude of the value to which the assertion refers

revision
type: Class
subclass of: review assessment
subclass of: Class
  union of: data item assessment
  union of: document assessment
  union of: meta assessment
  union of: model assessment
  union of: workflow assessment
comment: revision, i.e., a review assessment by which a replacement for the entity under review is recommended

unit
type: Class
subclass of: annotation
type: NamedIndividual
comment: A unit that can be expressed as a scalar multiple of an algebraic combination of SI units. This class, defined by identity with ReferenceUnit from the EMMO, cf. EVI, can be used to specify units (individuals of the unit class) that are absent from qudt-unit

validation infrastructure
type: Class
subclass of: infrastructure
disjoint with: validation statement
comment: validation infrastructure, i.e., an infrastructure which, as its main feature or purpose, relates to validation

validation statement
type: Class
equivalent class: Class
  intersection of: statement
  intersection of: validation communication
subclass of: statement
subclass of: validation communication
comment: validation statement, i.e., a statement which, as its main feature or purpose, relates to validation

autocorrelation function
type: Class
subclass of: function
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: time

density of states
type: Class
subclass of: function
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: energy

deviatoric stress tensor field
type: Class
subclass of: R IS CONTINUUM
subclass of: tensor field
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: R IS PRESSURE

electronic wavefunction
type: Class
subclass of: R IS ELECTRONIC
subclass of: wavefunction
subclass of: Restriction
  on property: is function attached to
  min qualified cardinality: 1
  on class: quantum object

field
type: Class
subclass of: function
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: position
disjoint union of: scalar field
disjoint union of: tensor field
disjoint union of: vector field
comment: A field is a function defining the values taken by a variable across space (i.e., as a function of position).
comment: Fields are mostly used in continuum descriptions, but also in others (e.g., in the post-processing of atomistic-mesoscopic descriptions).

function
type: Class
subclass of: marketplace related entity
subclass of: Graphical
subclass of: Restriction
  on property: involves
  min qualified cardinality: 2
  on class: variable
comment: A relation between two or more variables (e.g., the radial distribution function, the energy density of states).
comment: It can be defined via a mathematical equation or via tabulated values.

isotropic structure factor
type: Class
subclass of: function
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: linear momentum
subclass of: Restriction
  on property: is mathematically related to
  qualified cardinality: 1
  on class: radial distribution function

mass density field
type: Class
subclass of: R IS CONTINUUM
subclass of: scalar field
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: mass density

number density field
type: Class
subclass of: scalar field
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: number density
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: position

object variable
type: Class
subclass of: variable
subclass of: Restriction
  on property: is variable attached to
  qualified cardinality: 1
  on class: model object
subclass of: Restriction
  on property: has scope
  has value: OBJECT

pair distribution function
type: Class
subclass of: function
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: position

pair variable
type: Class
subclass of: variable
subclass of: Restriction
  on property: is variable involved in
  min qualified cardinality: 2
  on class: model object
subclass of: Restriction
  on property: has scope
  has value: PAIR

physical variable
type: Class
equivalent class: Restriction
  on property: is physical
  has value: true
subclass of: property
subclass of: variable

pressure field
type: Class
subclass of: R IS CONTINUUM
subclass of: scalar field
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: pressure
comment: Hydrostatic pressure field.

radial distribution function
type: Class
subclass of: pair distribution function
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: radial distance
subclass of: Restriction
  on property: is mathematically related to
  qualified cardinality: 1
  on class: isotropic structure factor

relative position
type: Class
subclass of: position
subclass of: relative variable
subclass of: Restriction
  on property: has final point
  qualified cardinality: 1
  on class: model object
subclass of: Restriction
  on property: has initial point
  qualified cardinality: 1
  on class: model object
comment: The position of an object with respect to another one.

relative velocity
type: Class
subclass of: relative variable
subclass of: velocity
subclass of: Restriction
  on property: has final point
  qualified cardinality: 1
  on class: model object
subclass of: Restriction
  on property: has initial point
  qualified cardinality: 1
  on class: model object
comment: The velocity of an object with respect to another one.

scalar variable
type: Class
subclass of: variable
comment: A variable that is a scalar (with respect to real space).
comment: Whatever the spatial dimension of a system is, it is specified by just one element.

stress tensor field
type: Class
subclass of: R IS CONTINUUM
subclass of: tensor field
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: R IS PRESSURE

system composition variable
type: Class
subclass of: system variable
comment: a variable defining the composition of the system (e.g., the number of species, in a broad sense, as particle/object types, and their populations/amounts). Depending on the system (simulating a finite or an infinite medium) and the model type (particle-based or continuum), populations, number/mass densities or others can be more appropriate.

system size
type: Class
subclass of: R IS LENGTH
subclass of: system variable
comment: size of the simulation box

system variable
type: Class
subclass of: variable
subclass of: Restriction
  on property: has scope
  has value: SYSTEM

temperature field
type: Class
subclass of: R IS CONTINUUM
subclass of: scalar field
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: temperature

tensor variable
type: Class
subclass of: variable
comment: A variable that is a tensor (with respect to real space).
comment: In a system of spatial dimension N, it is specified by NxN elements.

trajectory
type: Class
subclass of: function
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: position
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: time

universal variable
type: Class
subclass of: variable
subclass of: Restriction
  on property: has scope
  has value: UNIVERSE

variable
type: Class
subclass of: marketplace related entity
subclass of: Variable
subclass of: logical variable
disjoint union of: object variable
disjoint union of: pair variable
disjoint union of: system variable
disjoint union of: universal variable
disjoint union of: scalar variable
disjoint union of: tensor variable
disjoint union of: vector variable
comment: a variable in the mathematical sense, i.e. a symbol that stands for a quantity in a mathematical expression

vector variable
type: Class
subclass of: variable
comment: A variable that is a vector (with respect to real space).
comment: In a system of spatial dimension N, it is specified by N elements.

velocity field
type: Class
subclass of: R IS CONTINUUM
subclass of: vector field
subclass of: Restriction
  on property: involves
  qualified cardinality: 1
  on class: velocity

versor
type: Class
subclass of: vector variable
comment: A versor, i.e., a unit vector; it indicates a direction in real space.
comment: It can be univocally specified by two elements.

Universe
type: NamedIndividual
type: EMMO

interlocutor_group
type: NamedIndividual
type: ConceptScheme
definition: interlocutor group

license
type: NamedIndividual
type: ConceptScheme
definition: license

mm_topic
type: NamedIndividual
type: ConceptScheme
definition: materials modelling topic

Operator level
type: NamedIndividual
type: ConceptScheme
definition: Operator level (i.e., competency level)

Physical Equation (PE) type
type: NamedIndividual
type: ConceptScheme
definition: Physical Equation (PE) type

programming_language
type: NamedIndividual
type: ConceptScheme
definition: programming language

Project size
type: NamedIndividual
type: ConceptScheme
definition: Project size

FACTUAL
type: NamedIndividual
type: realization
comment: the factual realization (scenario, possible world, or environment that is there in reality)

BOTTLED SAFT
type: NamedIndividual
type: model database
acts at: VIMMP MARKETPLACE
has agent name: Bottled SAFT

EMMC NEWSLETTER
type: NamedIndividual
type: newsletter
has channel name: EMMC Newsletter

STARCCM PLUS CSV FORMAT
type: NamedIndividual
type: materials relation format
type: solver parameter format
type: textual csv format
has granularity: CONTINUUM
is input format of: SOFTWARE TOOL STARCCM PLUS
has format name: StarCCM+ input format

VIMMP CERTIFICATE REGISTRY
type: NamedIndividual
type: repository
acts at: VIMMP MARKETPLACE
has agent name: VIMMP Marketplace Certificate Registry

VIMMP NEWSLETTER
type: NamedIndividual
type: newsletter
has channel name: VIMMP Newsletter

VOCTA XML FORMAT
type: NamedIndividual
type: solver parameter format
type: textual xml format
has granularity: MESOSCOPIC
is input format of: SOFTWARE TOOL VOCTA
has format name: VOCTA control/settings format

Large
type: NamedIndividual
type: codelist project size
type: project size
in scheme: Project size
notation: Large

Small
type: NamedIndividual
type: codelist project size
type: project size
in scheme: Project size
notation: Small

ATOMISTIC
type: NamedIndividual
type: granularity level
comment: granularity level label: atomistic materials modelling

CONTINUUM
type: NamedIndividual
type: granularity level
comment: granularity level label: continuum materials modelling

ELECTRONIC
type: NamedIndividual
type: granularity level
comment: granularity level label: electronic materials modelling

EOS PHASE EQUILIBRIUM SOLVER
type: NamedIndividual
type: solver method type
has aspect text content: EOS phase-equilibrium solver

EOS SINGLE PHASE SOLVER
type: NamedIndividual
type: solver method type
has aspect text content: EOS single-phase solver

PE type A.1: Classical-mechanical density functional theory (atomistic)
type: NamedIndividual
type: codelist pe type
type: pe type atomistic density functional
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_A.1

PE type A.2: Molecular statics (atomistic), energy minimization
type: NamedIndividual
type: codelist pe type
type: pe type atomistic molecular statics
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_A.2

PE type A.3: Molecular dynamics (atomistic)
type: NamedIndividual
type: codelist pe type
type: pe type atomistic molecular dynamics
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_A.3

PE type A.4: Partition function (atomistic), e.g., for a Monte Carlo solver
type: NamedIndividual
type: codelist pe type
type: pe type atomistic partition function
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_A.4

PE type A.5: Atomistic spin model
type: NamedIndividual
type: codelist pe type
type: pe type atomistic spin model
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_A.5

PE type A.6: Statistical transport model (atomistic)
type: NamedIndividual
type: codelist pe type
type: pe type atomistic statistical transport
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_A.6

PE type CO.1: Continuum solid mechanics
type: NamedIndividual
type: codelist pe type
type: pe type continuum solid mechanics
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_CO.1

PE type CO.2: Continuum fluid mechanics
type: NamedIndividual
type: codelist pe type
type: pe type continuum fluid mechanics
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_CO.2

PE type CO.3: Continuum modelling of heat transfer and thermomechanics
type: NamedIndividual
type: codelist pe type
type: pe type continuum heat transfer
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_CO.3

PE type CO.4: Phase field model or continuum density gradient theory
type: NamedIndividual
type: codelist pe type
type: pe type continuum phase field
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_CO.4

PE type CO.5: Continuum thermodynamics
type: NamedIndividual
type: codelist pe type
type: pe type continuum thermodynamics
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_CO.5

PE type CO.6: Continuum modelling of chemical reaction kinetics
type: NamedIndividual
type: codelist pe type
type: pe type continuum reaction kinetics
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_CO.6

PE type CO.7: Continuum electromagnetism model (including optics, magnetism, etc.)
type: NamedIndividual
type: codelist pe type
type: pe type continuum electromagnetism
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_CO.7

PE type CO.8: Continuum process model (including devices and components of chemical/mechanical processes, flow-chart models, etc.)
type: NamedIndividual
type: codelist pe type
type: pe type continuum process model
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_CO.8

PE type EL.1: Ab-initio quantum mechanical (or first principle) model
type: NamedIndividual
type: codelist pe type
type: pe type electronic qm abinitio
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_EL.1

PE type EL.2: Electronic many-body and/or effective Hamiltonian model
type: NamedIndividual
type: codelist pe type
type: pe type electronic manybody effective
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_EL.2

PE type EL.3: QM model of the response to time-dependent fields
type: NamedIndividual
type: codelist pe type
type: pe type electronic time dependent
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_EL.3

PE type EL.4: Statistical charge transport model
type: NamedIndividual
type: codelist pe type
type: pe type electronic charge transport
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_EL.4

PE type EL.5: Statistical electron spin transport model
type: NamedIndividual
type: codelist pe type
type: pe type electronic spin transport
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_EL.5

PE type M.1: Classical-mechanical density functional theory (mesoscopic)
type: NamedIndividual
type: codelist pe type
type: pe type mesoscopic density functional
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_M.1

PE type M.2: Molecular statics (mesoscopic), i.e., energy minimization
type: NamedIndividual
type: codelist pe type
type: pe type mesoscopic molecular statics
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_M.2

PE type M.3: Molecular dynamics (mesoscopic), i.e., coarse-grained or united-atom modelling
type: NamedIndividual
type: codelist pe type
type: pe type mesoscopic molecular dynamics
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_M.3

PE type M.4: Partition function (mesoscopic), e.g., for a Monte Carlo solver
type: NamedIndividual
type: codelist pe type
type: pe type mesoscopic partition function
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_M.4

PE type M.5: Micromagnetism model
type: NamedIndividual
type: codelist pe type
type: pe type mesoscopic micromagnetism
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_M.5

PE type M.6: Statistical transport model (mesoscopic)
type: NamedIndividual
type: codelist pe type
type: pe type mesoscopic statistical transport
type: physical equation type
in scheme: CL PE TYPE
notation: PE_TYPE_M.6

MESOSCOPIC
type: NamedIndividual
type: granularity level
comment: granularity level label: mesoscopic materials modelling

MOLECULAR DYNAMICS SOLVER
type: NamedIndividual
type: solver method type
has aspect text content: molecular dynamics solver

MONTE CARLO SOLVER
type: NamedIndividual
type: solver method type
has aspect text content: Monte Carlo solver

ONE
type: NamedIndividual
type: elementary value
is decimal: 1.0

TRAJECTORY ANALYSER
type: NamedIndividual
type: postprocessor method type
has aspect text content: trajectory analyser, i.e., a postprocessor that analyses simulation trajectory output

X UNIT VECTOR 3D
type: NamedIndividual
type: logical array
has specific element: unique elementary
  has elementary value: ONE
  has variable index: 0
has specific element: unique elementary
  has elementary value: ZERO
  has variable index: 1
has specific element: unique elementary
  has elementary value: ZERO
  has variable index: 2
has static array size: 3

Y UNIT VECTOR 3D
type: NamedIndividual
type: logical array
has specific element: unique elementary
  has elementary value: ZERO
  has variable index: 0
has specific element: unique elementary
  has elementary value: ONE
  has variable index: 1
has specific element: unique elementary
  has elementary value: ZERO
  has variable index: 2
has static array size: 3

ZERO
type: NamedIndividual
type: elementary value
is decimal: 0.0

ZERO VECTOR 3D
type: NamedIndividual
type: logical array
has specific element: unique elementary
  has elementary value: ZERO
  has variable index: 0
has specific element: unique elementary
  has elementary value: ZERO
  has variable index: 1
has specific element: unique elementary
  has elementary value: ZERO
  has variable index: 2
has static array size: 3

Z UNIT VECTOR 3D
type: NamedIndividual
type: logical array
has specific element: unique elementary
  has elementary value: ZERO
  has variable index: 0
has specific element: unique elementary
  has elementary value: ZERO
  has variable index: 1
has specific element: unique elementary
  has elementary value: ONE
  has variable index: 2
has static array size: 3

Expert
type: NamedIndividual
type: codelist operator level
type: operator level
in scheme: Operator level
is at numerical level: 4
notation: Expert

EXP OPERATOR 400
type: NamedIndividual
type: expert operator specifier
has operator code: 400
is defined by: an unspecified learning operator at the expert level
is expressed by: expert level operator (unspecified)

EXP OPERATOR 420
type: NamedIndividual
type: expert operator specifier
has operator code: 420
is expressed by: to review/evaluate critically

EXP OPERATOR 425
type: NamedIndividual
type: expert operator specifier
has operator code: 425
is expressed by: to advise/manage

EXP OPERATOR 430
type: NamedIndividual
type: expert operator specifier
has operator code: 430
is expressed by: to characterize experimentally

EXP OPERATOR 435
type: NamedIndividual
type: expert operator specifier
has operator code: 435
is expressed by: to document

EXP OPERATOR 440
type: NamedIndividual
type: expert operator specifier
has operator code: 440
is expressed by: to carry out professional work

EXP OPERATOR 445
type: NamedIndividual
type: expert operator specifier
has operator code: 445
is expressed by: to correspond

EXP OPERATOR 450
type: NamedIndividual
type: expert operator specifier
has operator code: 450
is expressed by: to teach

EXP OPERATOR 455
type: NamedIndividual
type: expert operator specifier
has operator code: 455
is expressed by: to plan/project/propose

EXP OPERATOR 460
type: NamedIndividual
type: expert operator specifier
has operator code: 460
is expressed by: to conduct an exam/assessment

EXP OPERATOR 465
type: NamedIndividual
type: expert operator specifier
has operator code: 465
is expressed by: to systematize

EXP OPERATOR 470
type: NamedIndividual
type: expert operator specifier
has operator code: 470
is expressed by: to expand/extend/generalize

EXP OPERATOR 475
type: NamedIndividual
type: expert operator specifier
has operator code: 475
is expressed by: to simplify/reduce

EXP OPERATOR 480
type: NamedIndividual
type: expert operator specifier
has operator code: 480
is expressed by: to innovate/develop

Basic (Beginner)
type: NamedIndividual
type: codelist operator level
type: kmk operator level
in scheme: Operator level
is at numerical level: 1
notation: Basic

Intermediate
type: NamedIndividual
type: codelist operator level
type: kmk operator level
in scheme: Operator level
is at numerical level: 2
notation: Intermediate

Advanced
type: NamedIndividual
type: codelist operator level
type: kmk operator level
in scheme: Operator level
is at numerical level: 3
notation: Advanced

KMK OPERATOR 100
type: NamedIndividual
type: kmk operator specifier
has kmk level: Basic (Beginner)
has operator code: 100
is defined by: an unspecified learning operator at the basic level, as categorized by the KMK document
is expressed by: KMK level I operator (unspecified)

KMK OPERATOR 120
type: NamedIndividual
type: kmk operator specifier
has kmk level: Basic (Beginner)
has operator code: 120
is defined by: assign the specific terms to a given structure
is expressed by: name/label

KMK OPERATOR 130
type: NamedIndividual
type: kmk operator specifier
has kmk level: Basic (Beginner)
has operator code: 130
is defined by: give the main features or general principles in a structured way
is expressed by: outline/present

KMK OPERATOR 140
type: NamedIndividual
type: kmk operator specifier
has kmk level: Basic (Beginner)
has operator code: 140
is defined by: give names/terms or other brief answers, leaving out the explanation
is expressed by: list/give

KMK OPERATOR 150
type: NamedIndividual
type: kmk operator specifier
has kmk level: Basic (Beginner)
has operator code: 150
is defined by: write down procedures, observations and results (or discussions and conclusions), if applicable, following scientific conventions
is expressed by: write a lab report/data log

KMK OPERATOR 160
type: NamedIndividual
type: kmk operator specifier
has kmk level: Basic (Beginner)
has operator code: 160
is defined by: clearly lay out facts/structures/results by means of a graph/diagram/table or similar
is expressed by: sketch

KMK OPERATOR 170
type: NamedIndividual
type: kmk operator specifier
has kmk level: Basic (Beginner)
has operator code: 170
is defined by: create an exact graphical representation
is expressed by: draw

KMK OPERATOR 200
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 200
is defined by: an unspecified learning operator at intermediate level, as categorized by the KMK document
is expressed by: KMK level II operator (unspecified)

KMK OPERATOR 215
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 215
is defined by: give a criteria-based account of similarities and differences between phenomena, objects, or processes
is expressed by: compare

KMK OPERATOR 220
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 220
is defined by: reach a conclusion from the information given
is expressed by: deduce

KMK OPERATOR 225
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 225
is defined by: find an approximate and reasonable value for an unknown quantity
is expressed by: estimate

KMK OPERATOR 230
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 230
is defined by: investigate phenomena, data, etc., systematically considering and representing parts or features and relationships or connections
is expressed by: analyse and identify

KMK OPERATOR 235
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 235
is defined by: use a known idea, equation, principle, theory, or law in a new situation
is expressed by: apply

KMK OPERATOR 240
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 240
is defined by: insert the corresponding values into an equation and generate the result
is expressed by: calculate

KMK OPERATOR 245
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 245
is defined by: give a detailed and structured description of something using the appropriate terminology
is expressed by: describe

KMK OPERATOR 250
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 250
is defined by: generate a result from data given (graphically or numerically)
is expressed by: find

KMK OPERATOR 255
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 255
is defined by: give a detailed account of causes, reasons, or mechanisms to illuminate structures, processes, and relationships
is expressed by: explain

KMK OPERATOR 260
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 260
is defined by: describe, explain, and give examples
is expressed by: describe and explain

KMK OPERATOR 265
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 265
is defined by: represent processes and facts verbally or symbolically
is expressed by: formulate

KMK OPERATOR 270
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 270
is defined by: manipulate mathematical relationships to obtain a new equation or relationship, commenting the main steps on the way
is expressed by: derive

KMK OPERATOR 275
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 275
is defined by: arrange systematically, in proper order or appropriately grouped, based on existing principles or according to certain features
is expressed by: sort/group/classify

KMK OPERATOR 280
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 280
is defined by: check facts and interrelations for quality, performance, and/or reliability
is expressed by: test/verify

KMK OPERATOR 285
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 285
is defined by: research a subject to discover information and facts
is expressed by: investigate/examine

KMK OPERATOR 290
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 290
is defined by: formulate or derive a general statement
is expressed by: generalize

KMK OPERATOR 295
type: NamedIndividual
type: kmk operator specifier
has kmk level: Intermediate
has operator code: 295
is defined by: give a brief account or summary
is expressed by: summarize

KMK OPERATOR 300
type: NamedIndividual
type: kmk operator specifier
has kmk level: Advanced
has operator code: 300
is defined by: an unspecified learning operator at the advanced level, as categorized by the KMK document
is expressed by: KMK level III operator (unspecified)

KMK OPERATOR 320
type: NamedIndividual
type: kmk operator specifier
has kmk level: Advanced
has operator code: 320
is defined by: suggest or construct a clearly focused and justified assumption
is expressed by: propose a hypothesis

KMK OPERATOR 330
type: NamedIndividual
type: kmk operator specifier
has kmk level: Advanced
has operator code: 330
is defined by: process data and results, deduce a relationship between variables, make general statements, and assess implications
is expressed by: evaluate

KMK OPERATOR 340
type: NamedIndividual
type: kmk operator specifier
has kmk level: Advanced
has operator code: 340
is defined by: relate pheonomena to underlying rules, (physical) laws, and causal relationships
is expressed by: justify/give reasons

KMK OPERATOR 350
type: NamedIndividual
type: kmk operator specifier
has kmk level: Advanced
has operator code: 350
is defined by: judge something on the basis of scientific criteria or methods
is expressed by: comment on/assess

KMK OPERATOR 360
type: NamedIndividual
type: kmk operator specifier
has kmk level: Advanced
has operator code: 360
is defined by: show something by means of factual argumentation and logical reasoning
is expressed by: prove

KMK OPERATOR 370
type: NamedIndividual
type: kmk operator specifier
has kmk level: Advanced
has operator code: 370
is defined by: investigate or examine by argument, give and weigh arguments for and against something
is expressed by: discuss

KMK OPERATOR 380
type: NamedIndividual
type: kmk operator specifier
has kmk level: Advanced
has operator code: 380
is defined by: find explanations for phenomena/data to reach conclusions
is expressed by: interpret

KMK OPERATOR 390
type: NamedIndividual
type: kmk operator specifier
has kmk level: Advanced
has operator code: 390
is defined by: come up with a design for an experiment or a structured approach to investigate a problem
is expressed by: plan

Topic: Materials modelling (general)
type: NamedIndividual
type: codelist mm topic
type: mm topic
in scheme: mm_topic
has topic code: 0
notation: MM_TOPIC_0000

Topic: Basic prerequisites (general)
type: NamedIndividual
type: codelist mm topic
type: mm topic basic
in scheme: mm_topic
is narrower than: Topic: Materials modelling (general)
has topic code: 1000
notation: MM_TOPIC_1000

Topic: Basic prerequisites in chemical and process engineering, biotechnology, petrochemistry, and organic chemistry
type: NamedIndividual
type: codelist mm topic
type: mm topic basic chemical
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites (general)
has topic code: 1100
notation: MM_TOPIC_1100

Topic: Foundations in biotechnology and nutritional chemistry
type: NamedIndividual
type: codelist mm topic
type: mm topic basic chemical
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites in chemical and process engineering, biotechnology, petrochemistry, and organic chemistry
has topic code: 1110
notation: MM_TOPIC_1110

Topic: Foundations in fluid process engineering
type: NamedIndividual
type: codelist mm topic
type: mm topic basic chemical
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites in chemical and process engineering, biotechnology, petrochemistry, and organic chemistry
has topic code: 1120
notation: MM_TOPIC_1120

Topic: Foundations in industrial and applied chemistry and chemical reaction technology
type: NamedIndividual
type: codelist mm topic
type: mm topic basic chemical
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites in chemical and process engineering, biotechnology, petrochemistry, and organic chemistry
has topic code: 1130
notation: MM_TOPIC_1130

Topic: Foundations in organic chemistry
type: NamedIndividual
type: codelist mm topic
type: mm topic basic chemical
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites in chemical and process engineering, biotechnology, petrochemistry, and organic chemistry
has topic code: 1140
notation: MM_TOPIC_1140

Topic: Foundations in petrochemical engineering
type: NamedIndividual
type: codelist mm topic
type: mm topic basic chemical
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites in chemical and process engineering, biotechnology, petrochemistry, and organic chemistry
has topic code: 1150
notation: MM_TOPIC_1150

Topic: Foundations in thermal and general process engineering
type: NamedIndividual
type: codelist mm topic
type: mm topic basic chemical
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites in chemical and process engineering, biotechnology, petrochemistry, and organic chemistry
has topic code: 1160
notation: MM_TOPIC_1160

Topic: Foundations in mechanical process engineering and particle technology
type: NamedIndividual
type: codelist mm topic
type: mm topic basic chemical
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites in chemical and process engineering, biotechnology, petrochemistry, and organic chemistry
has topic code: 1170
notation: MM_TOPIC_1170

Topic: Foundations in chemical engineering thermodynamics
type: NamedIndividual
type: codelist mm topic
type: mm topic basic chemical
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites in chemical and process engineering, biotechnology, petrochemistry, and organic chemistry
has topic code: 1180
notation: MM_TOPIC_1180

Topic: Basic prerequisites in economics, marketing, and business administration
type: NamedIndividual
type: codelist mm topic
type: mm topic basic economics
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites (general)
has topic code: 1200
notation: MM_TOPIC_1200

Topic: Basic prerequisites in information technology, computer science, and progamming
type: NamedIndividual
type: codelist mm topic
type: mm topic basic information
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites (general)
has topic code: 1300
notation: MM_TOPIC_1300

Topic: Foundations in data analysis/data science
type: NamedIndividual
type: codelist mm topic
type: mm topic basic information
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites in information technology, computer science, and progamming
has topic code: 1360
notation: MM_TOPIC_1300

Topic: Foundations in data technology and/or (research) data management
type: NamedIndividual
type: codelist mm topic
type: mm topic basic information
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites in information technology, computer science, and progamming
has topic code: 1370
notation: MM_TOPIC_1370

Topic: Basic prerequisites in materials science and general or inorganic chemistry
type: NamedIndividual
type: codelist mm topic
type: mm topic basic materials
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites (general)
has topic code: 1400
notation: MM_TOPIC_1400

Topic: Basic prerequisites in mathematics, statistics, and logic
type: NamedIndividual
type: codelist mm topic
type: mm topic basic mathematics
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites (general)
has topic code: 1500
notation: MM_TOPIC_1500

Topic: Basic prerequisites in mechanical, aerospace, civil, electrical, and general engineering
type: NamedIndividual
type: codelist mm topic
type: mm topic basic mechanical
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites (general)
has topic code: 1600
notation: MM_TOPIC_1600

Topic: Basic prerequisites in physics and theoretical or physical chemistry
type: NamedIndividual
type: codelist mm topic
type: mm topic basic physics
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites (general)
has topic code: 1700
notation: MM_TOPIC_1700

Topic: Foundations in solid-state physics
type: NamedIndividual
type: codelist mm topic
type: mm topic basic physics
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites in physics and theoretical or physical chemistry
has topic code: 1730
notation: MM_TOPIC_1730

Topic: Foundations in statistical mechanics and/or statistical physics
type: NamedIndividual
type: codelist mm topic
type: mm topic basic physics
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites in physics and theoretical or physical chemistry
has topic code: 1750
notation: MM_TOPIC_1750

Topic: Interdisciplinary basic prerequisites
type: NamedIndividual
type: codelist mm topic
type: mm topic basic interdisciplinary
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites (general)
has topic code: 1800
notation: MM_TOPIC_1800

Topic: Secondary or pre-undergraduate level education and general basic knowledge
type: NamedIndividual
type: codelist mm topic
type: mm topic basic secondary
in scheme: mm_topic
is narrower than: Topic: Basic prerequisites (general)
has topic code: 1900
notation: MM_TOPIC_1900

Topic: Computational or numerical (beyond basic prerequisites)
type: NamedIndividual
type: codelist mm topic
type: mm topic computational
in scheme: mm_topic
is narrower than: Topic: Materials modelling (general)
has topic code: 3000
notation: MM_TOPIC_3000

Topic: Computational aspects of electronic modelling
type: NamedIndividual
type: codelist mm topic
type: mm topic computational electronic
in scheme: mm_topic
is narrower than: Topic: Computational or numerical (beyond basic prerequisites)
has topic code: 3100
notation: MM_TOPIC_3100

Topic: Computational aspects of physical equation EL.1
type: NamedIndividual
type: codelist mm topic
type: mm topic computational EL1
in scheme: mm_topic
is narrower than: Topic: Computational aspects of electronic modelling
has topic code: 3120
notation: MM_TOPIC_3120

Topic: Hartree-Fock approach (HF)
type: NamedIndividual
type: codelist mm topic
type: mm topic computational EL1
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equation EL.1
has topic code: 3123
notation: MM_TOPIC_3123

Topic: Computational aspects of physical equation EL.2
type: NamedIndividual
type: codelist mm topic
type: mm topic computational EL2
in scheme: mm_topic
is narrower than: Topic: Computational aspects of electronic modelling
has topic code: 3130
notation: MM_TOPIC_3130

Topic: Density matrix renormalization group (DMRG) method
type: NamedIndividual
type: codelist mm topic
type: mm topic computational EL2
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equation EL.2
has topic code: 3133
notation: MM_TOPIC_3133

Topic: Computational aspects of physical equation EL.3
type: NamedIndividual
type: codelist mm topic
type: mm topic computational EL3
in scheme: mm_topic
is narrower than: Topic: Computational aspects of electronic modelling
has topic code: 3140
notation: MM_TOPIC_3140

Topic: Computational aspects of physical equation EL.4
type: NamedIndividual
type: codelist mm topic
type: mm topic computational EL4
in scheme: mm_topic
is narrower than: Topic: Computational aspects of electronic modelling
has topic code: 3150
notation: MM_TOPIC_3150

Topic: Computational aspects of physical equation EL.5
type: NamedIndividual
type: codelist mm topic
type: mm topic computational EL5
in scheme: mm_topic
is narrower than: Topic: Computational aspects of electronic modelling
has topic code: 3160
notation: MM_TOPIC_3160

Topic: Computational aspects of discrete (atomistic and mesoscopic) modelling
type: NamedIndividual
type: codelist mm topic
type: mm topic computational discrete
in scheme: mm_topic
is narrower than: Topic: Computational or numerical (beyond basic prerequisites)
has topic code: 3200
notation: MM_TOPIC_3200

Topic: Computational aspects of physical equations A.1/M.1
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM1
in scheme: mm_topic
is narrower than: Topic: Computational aspects of discrete (atomistic and mesoscopic) modelling
has topic code: 3220
notation: MM_TOPIC_3220

Topic: Computational aspects of physical equation A.1 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM1
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equations A.1/M.1
has topic code: 3222
notation: MM_TOPIC_3222

Topic: Computational aspects of physical equation M.1 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM1
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equations A.1/M.1
has topic code: 3225
notation: MM_TOPIC_3225

Topic: Computational aspects of physical equations A.2/M.2
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM2
in scheme: mm_topic
is narrower than: Topic: Computational aspects of discrete (atomistic and mesoscopic) modelling
has topic code: 3230
notation: MM_TOPIC_3230

Topic: Computational aspects of physical equation A.2 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM2
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equations A.2/M.2
has topic code: 3232
notation: MM_TOPIC_3232

Topic: Computational aspects of physical equation M.2 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM2
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equations A.2/M.2
has topic code: 3235
notation: MM_TOPIC_3235

Topic: Computational aspects of physical equations A.3/M.3
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM3
in scheme: mm_topic
is narrower than: Topic: Computational aspects of discrete (atomistic and mesoscopic) modelling
has topic code: 3240
notation: MM_TOPIC_3240

Topic: Computational aspects of physical equation A.3 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM3
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equations A.3/M.3
has topic code: 3242
notation: MM_TOPIC_3242

Topic: Computational aspects of physical equation M.3 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM3
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equations A.3/M.3
has topic code: 3245
notation: MM_TOPIC_3245

Topic: Computational aspects of physical equations A.4/M.4
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM4
in scheme: mm_topic
is narrower than: Topic: Computational aspects of discrete (atomistic and mesoscopic) modelling
has topic code: 3250
notation: MM_TOPIC_3250

Topic: Computational aspects of physical equation A.4 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM4
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equations A.4/M.4
has topic code: 3252
notation: MM_TOPIC_3252

Topic: Computational aspects of physical equation M.4 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM4
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equations A.4/M.4
has topic code: 3255
notation: MM_TOPIC_3255

Topic: Computational aspects of physical equations A.5/M.5
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM5
in scheme: mm_topic
is narrower than: Topic: Computational aspects of discrete (atomistic and mesoscopic) modelling
has topic code: 3260
notation: MM_TOPIC_3260

Topic: Computational aspects of physical equation A.5 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM5
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equations A.5/M.5
has topic code: 3262
notation: MM_TOPIC_3262

Topic: Computational aspects of physical equation M.5 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM5
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equations A.5/M.5
has topic code: 3265
notation: MM_TOPIC_3265

Topic: Computational aspects of physical equations A.6/M.6
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM6
in scheme: mm_topic
is narrower than: Topic: Computational aspects of discrete (atomistic and mesoscopic) modelling
has topic code: 3270
notation: MM_TOPIC_3270

Topic: Computational aspects of physical equation A.6 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM6
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equations A.6/M.6
has topic code: 3272
notation: MM_TOPIC_3272

Topic: Computational aspects of physical equation M.6 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic computational AM6
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equations A.6/M.6
has topic code: 3275
notation: MM_TOPIC_3275

Topic: Computational aspects of (non-electronic, classical-mechanical) continuum modelling
type: NamedIndividual
type: codelist mm topic
type: mm topic computational continuum
in scheme: mm_topic
is narrower than: Topic: Computational or numerical (beyond basic prerequisites)
has topic code: 3300
notation: MM_TOPIC_3300

Topic: Computational aspects of physical equation CO.1
type: NamedIndividual
type: codelist mm topic
type: mm topic computational CO1
in scheme: mm_topic
is narrower than: Topic: Computational aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 3320
notation: MM_TOPIC_3320

Topic: Computational aspects of physical equation CO.2
type: NamedIndividual
type: codelist mm topic
type: mm topic computational CO2
in scheme: mm_topic
is narrower than: Topic: Computational aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 3330
notation: MM_TOPIC_3330

Topic: Computational aspects of physical equation CO.3
type: NamedIndividual
type: codelist mm topic
type: mm topic computational CO3
in scheme: mm_topic
is narrower than: Topic: Computational aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 3340
notation: MM_TOPIC_3340

Topic: Computational aspects of physical equation CO.4
type: NamedIndividual
type: codelist mm topic
type: mm topic computational CO4
in scheme: mm_topic
is narrower than: Topic: Computational aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 3350
notation: MM_TOPIC_3350

Topic: Computational aspects of physical equation CO.5
type: NamedIndividual
type: codelist mm topic
type: mm topic computational CO5
in scheme: mm_topic
is narrower than: Topic: Computational aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 3360
notation: MM_TOPIC_3360

Topic: Computational aspects of physical equation CO.6
type: NamedIndividual
type: codelist mm topic
type: mm topic computational CO6
in scheme: mm_topic
is narrower than: Topic: Computational aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 3370
notation: MM_TOPIC_3370

Topic: Computational aspects of physical equation CO.7
type: NamedIndividual
type: codelist mm topic
type: mm topic computational CO7
in scheme: mm_topic
is narrower than: Topic: Computational aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 3380
notation: MM_TOPIC_3380

Topic: Computational aspects of physical equation CO.8
type: NamedIndividual
type: codelist mm topic
type: mm topic computational CO8
in scheme: mm_topic
is narrower than: Topic: Computational aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 3390
notation: MM_TOPIC_3390

Topic: Computational aspects of non-equilibrium states and physical processes
type: NamedIndividual
type: codelist mm topic
type: mm topic computational non equilibrium
in scheme: mm_topic
is narrower than: Topic: Computational or numerical (beyond basic prerequisites)
has topic code: 3400
notation: MM_TOPIC_3400

Topic: Rare-event simulation methods
type: NamedIndividual
type: codelist mm topic
type: mm topic computational rare event
in scheme: mm_topic
is narrower than: Topic: Computational aspects of non-equilibrium states and physical processes
has topic code: 3460
notation: MM_TOPIC_3460

Topic: Rare-event simulation by biased/forced dynamics (metadynamics, methods based on Jarzynski's theorem, etc.)
type: NamedIndividual
type: codelist mm topic
type: mm topic computational rare event
in scheme: mm_topic
is narrower than: Topic: Rare-event simulation methods
has topic code: 3462
notation: MM_TOPIC_3462

Topic: Rare-event simulation by biased stochastic sampling (umbrella sampling, Wang-Landau sampling, etc.)
type: NamedIndividual
type: codelist mm topic
type: mm topic computational rare event
in scheme: mm_topic
is narrower than: Topic: Rare-event simulation methods
has topic code: 3464
notation: MM_TOPIC_3464

Topic: Rare-event simulation by replica-exchange methods
type: NamedIndividual
type: codelist mm topic
type: mm topic computational rare event
in scheme: mm_topic
is narrower than: Topic: Rare-event simulation methods
has topic code: 3466
notation: MM_TOPIC_3466

Topic: Rare-event simulation by statistics over trajectories, e.g., path-sampling based methods (FFS, TIS, TPS, etc.)
type: NamedIndividual
type: codelist mm topic
type: mm topic computational rare event
in scheme: mm_topic
is narrower than: Topic: Rare-event simulation methods
has topic code: 3468
notation: MM_TOPIC_3468

Topic: Computational aspects of interfacial phenomena and multiphase or heterogeneous systems
type: NamedIndividual
type: codelist mm topic
type: mm topic computational multiphase
in scheme: mm_topic
is narrower than: Topic: Computational or numerical (beyond basic prerequisites)
has topic code: 3500
notation: MM_TOPIC_3500

Topic: Computational aspects of statistical mechanics and statistical approaches to materials modelling
type: NamedIndividual
type: codelist mm topic
type: mm topic computational statistical
in scheme: mm_topic
is narrower than: Topic: Computational or numerical (beyond basic prerequisites)
has topic code: 3600
notation: MM_TOPIC_3600

Topic: Computational aspects of phenomenological thermodynamics
type: NamedIndividual
type: codelist mm topic
type: mm topic computational thermodynamics
in scheme: mm_topic
is narrower than: Topic: Computational or numerical (beyond basic prerequisites)
has topic code: 3700
notation: MM_TOPIC_3700

Topic: Computational aspects of classical and/or quantum mechanics
type: NamedIndividual
type: codelist mm topic
type: mm topic computational mechanics
in scheme: mm_topic
is narrower than: Topic: Computational or numerical (beyond basic prerequisites)
has topic code: 3800
notation: MM_TOPIC_3800

Topic: Data science and technology (beyond basic prerequisites)
type: NamedIndividual
type: codelist mm topic
type: mm topic data
in scheme: mm_topic
is narrower than: Topic: Materials modelling (general)
has topic code: 4000
notation: MM_TOPIC_4000

Topic: Materials (beyond basic prerequisites)
type: NamedIndividual
type: codelist mm topic
type: mm topic materials
in scheme: mm_topic
is narrower than: Topic: Materials modelling (general)
has topic code: 5000
notation: MM_TOPIC_5000

Topic: Materials science and engineering (combining multiple or all fields)
type: NamedIndividual
type: codelist mm topic
type: mm topic materials general
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5100
notation: MM_TOPIC_5100

Topic: Fluids
type: NamedIndividual
type: codelist mm topic
type: mm topic materials fluid
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5200
notation: MM_TOPIC_5200

Topic: Biomaterials
type: NamedIndividual
type: codelist mm topic
type: mm topic materials bio
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5300
notation: MM_TOPIC_5300

Topic: Living matter
type: NamedIndividual
type: codelist mm topic
type: mm topic materials bio
in scheme: mm_topic
is narrower than: Topic: Biomaterials
has topic code: 5330
notation: MM_TOPIC_5330

Topic: Ceramics
type: NamedIndividual
type: codelist mm topic
type: mm topic materials ceramic
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5350
notation: MM_TOPIC_5350

Topic: Composites
type: NamedIndividual
type: codelist mm topic
type: mm topic materials composite
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5400
notation: MM_TOPIC_5400

Topic: Electrolytes
type: NamedIndividual
type: codelist mm topic
type: mm topic materials electrolyte
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5450
notation: MM_TOPIC_5450

Topic: Metals
type: NamedIndividual
type: codelist mm topic
type: mm topic materials metal
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5500
notation: MM_TOPIC_5500

Topic: Minerals
type: NamedIndividual
type: codelist mm topic
type: mm topic materials mineral
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5550
notation: MM_TOPIC_5550

Topic: Nanomaterials
type: NamedIndividual
type: codelist mm topic
type: mm topic materials nano
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5600
notation: MM_TOPIC_5600

Topic: Organic chemistry and related materials science and engineering
type: NamedIndividual
type: codelist mm topic
type: mm topic materials organic
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5650
notation: MM_TOPIC_5650

Topic: Polymers
type: NamedIndividual
type: codelist mm topic
type: mm topic materials polymer
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5700
notation: MM_TOPIC_5700

Topic: Semiconductors
type: NamedIndividual
type: codelist mm topic
type: mm topic materials semiconductor
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5750
notation: MM_TOPIC_5750

Topic: Low-temperature materials science and engineering
type: NamedIndividual
type: codelist mm topic
type: mm topic materials ultracold
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5800
notation: MM_TOPIC_5800

Topic: Unstable, metastable, and transition states of materials
type: NamedIndividual
type: codelist mm topic
type: mm topic materials unstable
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5850
notation: MM_TOPIC_5850

Topic: Specific phenomena in materials science and engineering
type: NamedIndividual
type: codelist mm topic
type: mm topic materials special
in scheme: mm_topic
is narrower than: Topic: Materials (beyond basic prerequisites)
has topic code: 5900
notation: MM_TOPIC_5900

Topic: Social, economic, community (beyond basic prerequisites)
type: NamedIndividual
type: codelist mm topic
type: mm topic social
in scheme: mm_topic
is narrower than: Topic: Materials modelling (general)
has topic code: 6000
notation: MM_TOPIC_6000

Topic: Industrial production/manufacturing
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial
in scheme: mm_topic
is narrower than: Topic: Social, economic, community (beyond basic prerequisites)
has topic code: 6100
notation: MM_TOPIC_6100

Topic: Production/manufacturing in the chemical industry (including polymers, excluding the petrochemical industry)
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial chemical
in scheme: mm_topic
is narrower than: Topic: Industrial production/manufacturing
has topic code: 6120
notation: MM_TOPIC_6120

Topic: Production/manufacturing in the petrochemical industry
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial petrochemical
in scheme: mm_topic
is narrower than: Topic: Industrial production/manufacturing
has topic code: 6130
notation: MM_TOPIC_6130

Topic: Production/manufacturing in transportation-related industries (e.g., automotive, aerospace, and railway related manufacturing)
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial transport
in scheme: mm_topic
is narrower than: Topic: Industrial production/manufacturing
has topic code: 6140
notation: MM_TOPIC_6140

Topic: Production/manufacturing in the aerospace sector
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial aerospace
in scheme: mm_topic
is narrower than: Topic: Production/manufacturing in transportation-related industries (e.g., automotive, aerospace, and railway related manufacturing)
has topic code: 6142
notation: MM_TOPIC_6142

Topic: Production/manufacturing in the automotive sector
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial automotive
in scheme: mm_topic
is narrower than: Topic: Production/manufacturing in transportation-related industries (e.g., automotive, aerospace, and railway related manufacturing)
has topic code: 6144
notation: MM_TOPIC_6144

Topic: Production/manufacturing in the railway sector
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial railway
in scheme: mm_topic
is narrower than: Topic: Production/manufacturing in transportation-related industries (e.g., automotive, aerospace, and railway related manufacturing)
has topic code: 6148
notation: MM_TOPIC_6148

Topic: Production/manufacturing in biotechnology (excluding pharmaceutical applications)
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial biotechnology
in scheme: mm_topic
is narrower than: Topic: Industrial production/manufacturing
has topic code: 6150
notation: MM_TOPIC_6150

Topic: Production/manufacturing in food-related industries (including beverages and tobacco)
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial food
in scheme: mm_topic
is narrower than: Topic: Industrial production/manufacturing
has topic code: 6155
notation: MM_TOPIC_6155

Topic: Production/manufacturing in industries related to pharmaceutical and medical applications
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial medicine
in scheme: mm_topic
is narrower than: Topic: Industrial production/manufacturing
has topic code: 6160
notation: MM_TOPIC_6160

Topic: Production/manufacturing of wood and paper based products (including printing)
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial paper
in scheme: mm_topic
is narrower than: Topic: Industrial production/manufacturing
has topic code: 6165
notation: MM_TOPIC_6165

Topic: Production/manufacturing of electrical products and equipment
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial electrical
in scheme: mm_topic
is narrower than: Topic: Industrial production/manufacturing
has topic code: 6170
notation: MM_TOPIC_6170

Topic: Production/manufacturing of industrial machinery and equipment
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial machinery
in scheme: mm_topic
is narrower than: Topic: Industrial production/manufacturing
has topic code: 6175
notation: MM_TOPIC_6175

Topic: Production/manufacturing of basic and fabricated metal
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial metal
in scheme: mm_topic
is narrower than: Topic: Industrial production/manufacturing
has topic code: 6180
notation: MM_TOPIC_6180

Topic: Specific aspects or fields of industrial production/manufacturing
type: NamedIndividual
type: codelist mm topic
type: mm topic social industrial special
in scheme: mm_topic
is narrower than: Topic: Industrial production/manufacturing
has topic code: 6190
notation: MM_TOPIC_6190

Topic: Theoretical (beyond basic prerequisites; excluding computational and numerical aspects)
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical
in scheme: mm_topic
is narrower than: Topic: Materials modelling (general)
has topic code: 7000
notation: MM_TOPIC_7000

Topic: Theoretical aspects of electronic modelling
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical electronic
in scheme: mm_topic
is narrower than: Topic: Theoretical (beyond basic prerequisites; excluding computational and numerical aspects)
has topic code: 7100
notation: MM_TOPIC_7100

Topic: Theoretical aspects of physical equation EL.1
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical EL1
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of electronic modelling
has topic code: 7120
notation: MM_TOPIC_7120

Topic: Time-dependent DFT (TDDFT)
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical EL1
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of physical equation EL.1
has topic code: 7124
notation: MM_TOPIC_7124

Topic: Theoretical aspects of physical equation EL.2
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical EL2
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of electronic modelling
has topic code: 7130
notation: MM_TOPIC_7130

Topic: Many-body perturbation theory (MBPT)
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical EL2
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of physical equation EL.2
has topic code: 7134
notation: MM_TOPIC_7134

Topic: Dynamical Mean Field Theory (DMFT)
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical EL2
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of physical equation EL.2
has topic code: 7136
notation: MM_TOPIC_7136

Topic: High Temperature Density Functional Theory (HT-DFT)
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical EL2
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of physical equation EL.2
has topic code: 7138
notation: MM_TOPIC_7138

Topic: Theoretical aspects of physical equation EL.3
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical EL3
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of electronic modelling
has topic code: 7140
notation: MM_TOPIC_7140

Topic: Theoretical aspects of physical equation EL.4, i.e., non-equilibrium Green's functions (NEGF)
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical EL4
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of electronic modelling
has topic code: 7150
notation: MM_TOPIC_7150

Topic: Theoretical aspects of physical equation EL.5
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical EL5
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of electronic modelling
has topic code: 7160
notation: MM_TOPIC_7160

Topic: Theoretical aspects of discrete (atomistic and mesoscopic) modelling
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical discrete
in scheme: mm_topic
is narrower than: Topic: Theoretical (beyond basic prerequisites; excluding computational and numerical aspects)
has topic code: 7200
notation: MM_TOPIC_7200

Topic: Theoretical aspects of physical equations A.1/M.1
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM1
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of discrete (atomistic and mesoscopic) modelling
has topic code: 7220
notation: MM_TOPIC_7220

Topic: Theoretical aspects of physical equation A.1 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM1
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of physical equations A.1/M.1
has topic code: 7222
notation: MM_TOPIC_7222

Topic: Theoretical aspects of physical equation M.1 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM1
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of physical equations A.1/M.1
has topic code: 7225
notation: MM_TOPIC_7225

Topic: Theoretical aspects of physical equations A.2/M.2
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM2
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of discrete (atomistic and mesoscopic) modelling
has topic code: 7230
notation: MM_TOPIC_7230

Topic: Theoretical aspects of physical equation A.2 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM2
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of physical equations A.2/M.2
has topic code: 7232
notation: MM_TOPIC_7232

Topic: Theoretical aspects of physical equation M.2 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM2
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of physical equations A.2/M.2
has topic code: 7235
notation: MM_TOPIC_7235

Topic: Theoretical aspects of physical equations A.3/M.3
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM3
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of discrete (atomistic and mesoscopic) modelling
has topic code: 7240
notation: MM_TOPIC_7240

Topic: Theoretical aspects of physical equation A.3 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM3
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of physical equations A.3/M.3
has topic code: 7242
notation: MM_TOPIC_7242

Topic: Theoretical aspects of physical equation M.3 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM3
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of physical equations A.3/M.3
has topic code: 7245
notation: MM_TOPIC_7245

Topic: Theoretical aspects of physical equations A.4/M.4
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM4
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of discrete (atomistic and mesoscopic) modelling
has topic code: 7250
notation: MM_TOPIC_7250

Topic: Theoretical aspects of physical equation A.4 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM4
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of physical equations A.4/M.4
has topic code: 7252
notation: MM_TOPIC_7252

Topic: Theoretical aspects of physical equation M.4 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM4
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of physical equations A.4/M.4
has topic code: 7255
notation: MM_TOPIC_7255

Topic: Theoretical aspects of physical equations A.5/M.5
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM5
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of discrete (atomistic and mesoscopic) modelling
has topic code: 7260
notation: MM_TOPIC_7260

Topic: Theoretical aspects of physical equation A.5 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM5
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of physical equations A.5/M.5
has topic code: 7262
notation: MM_TOPIC_7262

Topic: Theoretical aspects of physical equation M.5 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM5
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of physical equations A.5/M.5
has topic code: 7265
notation: MM_TOPIC_7265

Topic: Computational aspects of physical equations A.6/M.6
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM6
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of discrete (atomistic and mesoscopic) modelling
has topic code: 7270
notation: MM_TOPIC_7270

Topic: Computational aspects of physical equation A.6 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM6
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equations A.6/M.6
has topic code: 7272
notation: MM_TOPIC_7272

Topic: Computational aspects of physical equation M.6 specifically
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical AM6
in scheme: mm_topic
is narrower than: Topic: Computational aspects of physical equations A.6/M.6
has topic code: 7275
notation: MM_TOPIC_7275

Topic: Theoretical aspects of (non-electronic, classical-mechanical) continuum modelling
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical continuum
in scheme: mm_topic
is narrower than: Topic: Theoretical (beyond basic prerequisites; excluding computational and numerical aspects)
has topic code: 7300
notation: MM_TOPIC_7300

Topic: Theoretical aspects of physical equation CO.1
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical CO1
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 7320
notation: MM_TOPIC_7320

Topic: Theoretical aspects of physical equation CO.2
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical CO2
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 7330
notation: MM_TOPIC_7330

Topic: Theoretical aspects of physical equation CO.3
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical CO3
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 7340
notation: MM_TOPIC_7340

Topic: Theoretical aspects of physical equation CO.4
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical CO4
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 7350
notation: MM_TOPIC_7350

Topic: Theoretical aspects of physical equation CO.5
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical CO5
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 7360
notation: MM_TOPIC_7360

Topic: Theoretical aspects of physical equation CO.6
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical CO6
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 7370
notation: MM_TOPIC_7370

Topic: Theoretical aspects of physical equation CO.7
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical CO7
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 7380
notation: MM_TOPIC_7380

Topic: Theoretical aspects of physical equation CO.8
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical CO8
in scheme: mm_topic
is narrower than: Topic: Theoretical aspects of (non-electronic, classical-mechanical) continuum modelling
has topic code: 7390
notation: MM_TOPIC_7390

Topic: Theoretical aspects of non-equilibrium states and physical processes
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical non equilibrium
in scheme: mm_topic
is narrower than: Topic: Theoretical (beyond basic prerequisites; excluding computational and numerical aspects)
has topic code: 7400
notation: MM_TOPIC_7400

Topic: Theoretical aspects of interfacial phenomena and multiphase or heterogeneous systems
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical multiphase
in scheme: mm_topic
is narrower than: Topic: Theoretical (beyond basic prerequisites; excluding computational and numerical aspects)
has topic code: 7500
notation: MM_TOPIC_7500

Topic: Theoretical aspects of statistical mechanics and statistical approaches to materials modelling
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical statistical
in scheme: mm_topic
is narrower than: Topic: Theoretical (beyond basic prerequisites; excluding computational and numerical aspects)
has topic code: 7600
notation: MM_TOPIC_7600

Topic: Theoretical aspects of phenomenological thermodynamics
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical thermodynamics
in scheme: mm_topic
is narrower than: Topic: Theoretical (beyond basic prerequisites; excluding computational and numerical aspects)
has topic code: 7700
notation: MM_TOPIC_7700

Topic: Theoretical aspects of classical and/or quantum mechanics
type: NamedIndividual
type: codelist mm topic
type: mm topic theoretical mechanics
in scheme: mm_topic
is narrower than: Topic: Theoretical (beyond basic prerequisites; excluding computational and numerical aspects)
has topic code: 7800
notation: MM_TOPIC_7800

Topic: Interdisciplinary (beyond basic prerequisites)
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary
in scheme: mm_topic
is narrower than: Topic: Materials modelling (general)
has topic code: 8000
notation: MM_TOPIC_8000

Topic: Interdisciplinary studies with significant computational and data-science aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary comp data
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8340
notation: MM_TOPIC_8340

Topic: Interdisciplinary studies with significant computational and material-property aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary comp materials
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8350
notation: MM_TOPIC_8350

Topic: Interdisciplinary studies with significant computational and socio-economic aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary comp social
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8360
notation: MM_TOPIC_8360

Topic: Interdisciplinary studies with significant computational and theoretical aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary comp theoretical
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8370
notation: MM_TOPIC_8370

Topic: Interdisciplinary studies with significant computational and side-interest aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary comp side
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8390
notation: MM_TOPIC_8390

Topic: Interdisciplinary studies with significant data-science and material-property aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary data materials
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8450
notation: MM_TOPIC_8450

Topic: Bioinformatics applied to genomics/genome analysis
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary data materials
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary studies with significant data-science and material-property aspects
has topic code: 8454
notation: MM_TOPIC_8454

Topic: Interdisciplinary studies with significant data-science and socio-economic aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary data social
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8460
notation: MM_TOPIC_8460

Topic: Interdisciplinary studies with significant data-science and theoretical aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary data theoretical
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8470
notation: MM_TOPIC_8470

Topic: Interdisciplinary studies with significant data-science and side-interest aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary data side
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8490
notation: MM_TOPIC_8490

Topic: Interdisciplinary studies with significant material-property and socio-economic aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary materials social
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8560
notation: MM_TOPIC_8560

Topic: Interdisciplinary studies with significant material-property and theoretical aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary materials theoretical
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8570
notation: MM_TOPIC_8570

Topic: Interdisciplinary studies with significant material-property and side-interest aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary materials side
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8590
notation: MM_TOPIC_8590

Topic: Interdisciplinary studies with significant socio-economic and theoretical aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary social theoretical
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8670
notation: MM_TOPIC_8670

Topic: Interdisciplinary studies with significant socio-economic and side-interest aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary social side
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8690
notation: MM_TOPIC_8690

Topic: Interdisciplinary studies with significant theoretical and side-interest aspects
type: NamedIndividual
type: codelist mm topic
type: mm topic interdisciplinary theoretical side
in scheme: mm_topic
is narrower than: Topic: Interdisciplinary (beyond basic prerequisites)
has topic code: 8790
notation: MM_TOPIC_8790

Topic: Side interests (general)
type: NamedIndividual
type: codelist mm topic
type: mm topic side
in scheme: mm_topic
is narrower than: Topic: Materials modelling (general)
has topic code: 9000
notation: MM_TOPIC_9000

Any level
type: NamedIndividual
type: codelist operator level
type: operator level
in scheme: Operator level
notation: Any level

Consultant
type: NamedIndividual
type: codelist interlocutor group
type: interlocutor group
in scheme: interlocutor_group
notation: Consultant

Data provider
type: NamedIndividual
type: codelist interlocutor group
type: interlocutor group
in scheme: interlocutor_group
notation: Data provider

End user
type: NamedIndividual
type: codelist interlocutor group
type: interlocutor group
in scheme: interlocutor_group
notation: End user

Guest
type: NamedIndividual
type: codelist interlocutor group
type: interlocutor group
in scheme: interlocutor_group
notation: Guest

Manufacturer
type: NamedIndividual
type: codelist interlocutor group
type: interlocutor group
in scheme: interlocutor_group
notation: Manufacturer

Model provider
type: NamedIndividual
type: codelist interlocutor group
type: interlocutor group
in scheme: interlocutor_group
notation: Model provider

Software owner
type: NamedIndividual
type: codelist interlocutor group
type: interlocutor group
in scheme: interlocutor_group
notation: Software owner

Software owner
type: NamedIndividual
type: codelist interlocutor group
type: interlocutor group
in scheme: interlocutor_group
notation: Software owner

Training provider
type: NamedIndividual
type: codelist interlocutor group
type: interlocutor group
in scheme: interlocutor_group
notation: Training provider

Translator
type: NamedIndividual
type: codelist interlocutor group
type: interlocutor group
in scheme: interlocutor_group
notation: Translator

TITLE DOCTOR GENERIC
type: NamedIndividual
type: doctoral title
has prefix element: true
has prefix text: Dr
has suffix element: false

TITLE FEMALE GENERIC
type: NamedIndividual
type: personal title
is gendered form of: TITLE MALE GENERIC
has prefix element: true
has prefix text: Ms
has suffix element: false

TITLE MALE GENERIC
type: NamedIndividual
type: personal title
is gendered form of: TITLE FEMALE GENERIC
has prefix element: true
has prefix text: Mr
has suffix element: false

TITLE PROFESSOR GENERIC LONG
type: NamedIndividual
type: postdoctoral title
is extended form of: TITLE PROFESSOR GENERIC SHORT
has prefix element: true
has prefix text: Professor
has suffix element: false

TITLE PROFESSOR GENERIC SHORT
type: NamedIndividual
type: postdoctoral title
is shortened form of: TITLE PROFESSOR GENERIC LONG
has prefix element: true
has prefix text: Prof
has suffix element: false

ANDERSEN THERMOSTAT
type: NamedIndividual
type: thermostat
see also: Andersen, H. C. Molecular dynamics simulations at constant pressure and/or temperature. J. Chem. Phys. 72:2384, 1980

BERENDSEN BAROSTAT
type: NamedIndividual
type: barostat
see also: H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, and J. R. Haak. Molecular dynamics with coupling to an external bath. Journal of Chemical Physics, 81(8):3684–3690, 1984.

BERENDSEN THERMOSTAT
type: NamedIndividual
type: thermostat
see also: Berendsen, H. J. C., Postma, J. P. M., DiNola, A., Haak, J. R. Molecular dynamics with coupling to an external bath. J. Chem. Phys. 81:3684–3690, 1984

BFGS
type: NamedIndividual
type: minimization
comment: Broyden-Fletcher-Goldfarb-Shanno (BFGS) method.
see also: W. H. Press et al, Numerical recipes: The art of scientific computing, 3rd edition, Cambridge University Press, 2007.

BOUNCE BACK PLANAR HARD WALL
type: NamedIndividual
type: planar wall
type: R IS MESOSCOPIC
comment: When a particle tries to cross such wall, all its velocity components are reversed.
see also: M. Revenga, I. Zúñiga, P. Español and I. Pagonabarraga. Boundary Models in DPD. Int. J. Mod. Phys. C 9, 1319 (1998).

CHARGE DIPOLE POTENTIAL
type: NamedIndividual
type: electrostatic potential
type: Restriction
  on property: involves
  qualified cardinality: 1
  on class: object electric charge
type: Restriction
  on property: involves
  qualified cardinality: 1
  on class: object electric dipole moment
comment: Electrostatic potential between a point charge and a point dipole.

CHARGE QUADRUPOLE POTENTIAL
type: NamedIndividual
type: electrostatic potential
type: Restriction
  on property: involves
  qualified cardinality: 1
  on class: object electric charge
type: Restriction
  on property: involves
  qualified cardinality: 1
  on class: object electric quadrupole moment
comment: Electrostatic potential between a point charge and a point charge quadrupole.

CONJUGATE GRADIENT
type: NamedIndividual
type: minimization
see also: W. H. Press et al, Numerical recipes: The art of scientific computing, 3rd edition, Cambridge University Press, 2007.

COULOMB POTENTIAL
type: NamedIndividual
type: electrostatic potential
type: Restriction
  on property: involves
  qualified cardinality: 2
  on class: object electric charge
comment: Electrostatic potential between point charges.

DIPOLE DIPOLE POTENTIAL
type: NamedIndividual
type: electrostatic potential
type: Restriction
  on property: involves
  qualified cardinality: 2
  on class: object electric dipole moment
comment: Electrostatic potential between point charge dipoles.

DIPOLE QUADRUPOLE POTENTIAL
type: NamedIndividual
type: electrostatic potential
type: Restriction
  on property: involves
  qualified cardinality: 1
  on class: object electric dipole moment
type: Restriction
  on property: involves
  qualified cardinality: 1
  on class: object electric quadrupole moment
comment: Electrostatic potential between a point charge dipole and a point charge quadrupole.

DPD
type: NamedIndividual
type: dissipative particle dynamics
has pe: NEWTON EQUATION PLUS RANDOM AND DRAG FORCE
has osmo pe type id: M.3

DPD VV
type: NamedIndividual
type: integrator
comment: Version of Velocity-Verlet integrator adapted to the DPD thermostat.

EWALD
type: NamedIndividual
type: electrostatics solver
comment: Standard Ewald summation method for electrostatics of point-like charges.

EWALD SMEARED
type: NamedIndividual
type: electrostatics solver
comment: Ewald summation method for electrostatics modified to treat smeared charges.
see also: Minerva González-Melchor, Estela Mayoral, Marı́a Eugenia Velázquez, and José Alejandre. Electro-static interactions in dissipative particle dynamics using the Ewald sums. Journal of Chemical Physics,125(22):224107, 2006.

FINNIS SINCLAIR POTENTIAL
type: NamedIndividual
type: metal potential
see also: Finnis, M. W., and Sinclair, J. E., A simple empirical N-body potential for transition metals. Philos. Mag. A, 50, 45 (1984).

GROOT WARREN
type: NamedIndividual
type: dpd potential
type: two body potential
involves: GROOT WARREN CUTOFF
involves: GROOT WARREN REPULSION
see also: Robert D. Groot and Patrick B. Warren. Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation. Journal of Chemical Physics, 107(11):4423–4435, 1997.

LANGEVIN BAROSTAT
type: NamedIndividual
type: barostat
see also: Ask F. Jakobsen. Constant-pressure and constant-surface tension simulations in dissipative particle dynamics. Journal of Chemical Physics, 122(12):124901, 2005.

LEES EDWARDS BOUNDARY CONDITION
type: NamedIndividual
type: boundary condition
comment: Lees-Edwards boundary condition allows to simulate a shear flow.
see also: A. W. Lees and S. F. Edwards. The computer study of transport processes under extreme conditions. J. Phys, C 5, 1921 (1972).

LFV
type: NamedIndividual
type: integrator
comment: Leapfrog-Verlet integrator.

LORENTZ BERTHELOT COMBINATION RULE
type: NamedIndividual
type: combination rule
see also: D. Berthelot, “Sur le mélange des gaz,” Comptes Rendus Hebdomadaires des Séances de l'Académie des Sciences, vol. 126, pp. 1703–1855, 1898.
see also: Lorentz, H. A. (1881), Ueber die Anwendung des Satzes vom Virial in der kinetischen Theorie der Gase. Ann. Phys., 248: 127-136.

LOWE ANDERSEN THERMOSTAT
type: NamedIndividual
type: thermostat
see also: C. P. Lowe. An alternative approach to dissipative particle dynamics. EPL (Europhysics Letters), 47(2):145–151, July 1999.

MANYBODY DPD
type: NamedIndividual
type: dpd potential
comment: Density-dependent pair-wise potential for Dissipative Particle Dynamics.
see also: I. Pagonabarraga and D. Frenkel. Dissipative particle dynamics for interacting systems. Journal of Chemical Physics, 115(11):5015–5026, 2001.

MC
type: NamedIndividual
type: molecular monte carlo
has pe: PHASE SPACE SAMPLING EQUATION
has osmo pe type id: A.4
has osmo pe type id: M.4

MD
type: NamedIndividual
type: molecular dynamics
has pe: NEWTON EQUATION
has osmo pe type id: A.3
has osmo pe type id: M.3

METROPOLIS
type: NamedIndividual
type: sampling algorithm
see also: N.A. Metropolis, A.W. Rosenbluth, M.N. Rosenbluth, A.H. Teller, E. Teller. Equation of state calculations by fast computing machines. J. Chem. Phys., 21, 1087 (1953).

MM
type: NamedIndividual
type: molecular mechanics
has osmo pe type id: A.2
has osmo pe type id: M.2

NEWTON EQUATION
type: NamedIndividual
type: am physical equation
comment: Newton's second law of motion.

NEWTON EQUATION PLUS RANDOM AND DRAG FORCE
type: NamedIndividual
type: am physical equation
comment: Newton's second law of motion, with explicit terms for the DPD thermostat (random and drag force terms). The splitting into PE and MR for this case can be debated, as the thermostat affects the material transport properties. Here we choose to put in the MR part the conservative forces only.

NOSE HOOVER THERMOSTAT
type: NamedIndividual
type: thermostat
see also: Nose, S. A molecular dynamics method for simulations in the canonical ensemble. Mol. Phys. 52:255–268, 1984 Hoover, W. G. Canonical dynamics: equilibrium phase-space distributions. Phys. Rev. A 31:1695–1697, 1985

P3M
type: NamedIndividual
type: electrostatics solver
comment: Particle-particle particle-mesh summation method for electrostatics.

PARRINELLO RAHMAN BAROSTAT
type: NamedIndividual
type: barostat
see also: M. Parrinello and A. Rahman, J. Appl. Phys. https://doi.org/10.1063/1.328693 52, 7182 (1981).

PETERS THERMOSTAT
type: NamedIndividual
type: thermostat
see also: E. A. J. F. Peters. Elimination of time step effects in DPD. EPL (Europhysics Letters), 66(3):311–317, May 2004.

PHASE SPACE SAMPLING EQUATION
type: NamedIndividual
type: am physical equation
comment: We indicate as Phase-Space Sampling equation any equation that allows to generate configurations (i.e., microstates) according to a given ensemble (macrostate).

QUADRUPOLE QUADRUPOLE POTENTIAL
type: NamedIndividual
type: electrostatic potential
type: Restriction
  on property: involves
  qualified cardinality: 2
  on class: object electric quadrupole moment
comment: Electrostatic potential between point charge quadrupoles.

REFLECTING PLANAR HARD WALL
type: NamedIndividual
type: planar wall
comment: When a particle tries to cross such wall, its velocity component perperdicular to the wall is reversed.
see also: M. Revenga, I. Zúñiga, P. Español and I. Pagonabarraga. Boundary Models in DPD. Int. J. Mod. Phys. C 9, 1319 (1998).
see also: P. B. Warren, P. Prinsen and M. A. J. Michels. The physics of surfactant dissolution. Phil. Trans. R. Soc Lond. A 361, 665 (2003).

SOFT REPULSIVE WALL POTENTIAL
type: NamedIndividual
type: site surface potential
type: am external condition trait
comment: This soft repulsive potential can be used to decrease density oscillations near the wall.
see also: P. B. Warren, P. Prinsen and M. A. J. Michels. The physics of surfactant dissolution. Phil. Trans. R. Soc Lond. A 361, 665 (2003).

SPME
type: NamedIndividual
type: electrostatics solver
comment: Smooth Particle Mesh Ewald summation method for electrostatics. Applies to periodic systems.
see also: Ulrich Essmann, Lalith Perera, Max L. Berkowitz, Tom Darden, Hsing Lee, and Lee G. Pedersen. A smooth particle mesh Ewald method. J. Chem. Phys. 103, 8577 (1995).

STEEPEST DESCENT
type: NamedIndividual
type: minimization
comment: Steepest descent or gradient descent, not the be confused with the method to approximately compute integrals.
see also: W. H. Press et al, Numerical recipes: The art of scientific computing, 3rd edition, Cambridge University Press, 2007.

STOYANOV GROOT THERMOSTAT
type: NamedIndividual
type: thermostat
see also: Simeon D. Stoyanov and Robert D. Groot. From molecular dynamics to hydrodynamics: A novel Galilean invariant thermostat. Journal of Chemical Physics, 122(11):114112, 2005.

UMBRELLA SAMPLING
type: NamedIndividual
type: sampling algorithm
see also: G. M. Torrie and J. P. Valleau. Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling. J. Comput. Phys. 23, 187 (1977).

VELOCITY RESCALE THERMOSTAT
type: NamedIndividual
type: thermostat
see also: Bussi, G., Donadio, D., Parrinello, M. Canonical sampling through velocity rescaling. J. Chem. Phys. 126:014101, 2007.

VV
type: NamedIndividual
type: integrator
comment: Velocity-Verlet integrator.

WANG LANDAU SAMPLING
type: NamedIndividual
type: sampling algorithm
see also: Fugao Wang and D. P. Landau. Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States. Phys. Rev. Lett. 86, 2050 (2001).

ADVECTION DIFFUSION
type: NamedIndividual
type: mass transport equation
has closure: DIFFUSION EINSTEIN EQUATION
comment: Advection-Diffusion equation (i.e.: drift-diffusion equation) for transport of a mass scalar quantity (e.g. concentration).

BACKWARD
type: NamedIndividual
type: temporal discretization scheme
comment: Transient, second order implicit, potentially unbounded.

CENTRAL DIFFERENCE SCHEME
type: NamedIndividual
type: divergence scheme
comment: Second-order central discretization scheme.

CFD
type: NamedIndividual
type: computational fluid dynamics
has pe: transport equation
has osmo pe type id: CO.2

CRANK NICOLSON
type: NamedIndividual
type: temporal discretization scheme
comment: Transient, second order implicit, bounded.

DIFFUSION EINSTEIN EQUATION
type: NamedIndividual
type: mass mat rel
is closure of: ADVECTION DIFFUSION
comment: Einstein equation for molecular diffusion of spherical particles.

EOS METHOD
type: NamedIndividual
type: equation of state method
has pe: equation of state
has osmo pe type id: CO.5

EULER
type: NamedIndividual
type: temporal discretization scheme
comment: Transient, first order, implicit, bounded.

FIRST ORDER UPWIND
type: NamedIndividual
type: divergence scheme
comment: First order upwind discretization scheme.

GRADIENT FOURTH
type: NamedIndividual
type: gradient scheme
comment: Fourth order, least squares.

GRADIENT GAUSS
type: NamedIndividual
type: gradient scheme
comment: Second order, Gaussian integration.

GRADIENT LEAST SQUARES
type: NamedIndividual
type: gradient scheme
comment: Second order, least squares

NAVIER STOKES
type: NamedIndividual
type: momentum transport equation
has closure: NEWTONIAN STRESS TENSOR
comment: Navier-Stokes transport equation for momentum.

NEWTONIAN STRESS TENSOR
type: NamedIndividual
type: momentum mat rel
type: Restriction
  on property: involves
  qualified cardinality: 1
  on class: dynamic viscosity
is closure of: NAVIER STOKES
comment: Stress tensor with constant viscosity.

SECOND ORDER UPWIND
type: NamedIndividual
type: divergence scheme
comment: Second-order upwind discretization scheme.

SYMMETRY BC
type: NamedIndividual
type: boundary condition
comment: Defines a mirror boundary (the solution is mirrored along that boundary).

BFGS
type: NamedIndividual
type: ionic relaxation
comment: Broyden–Fletcher–Goldfarb–Shanno (BFGS) algorithm
see also: Numerical Recipes 3rd Edition: The Art of Scientific Computing 2007 Cambridge University Press

BRAVAIS LATTICE
type: NamedIndividual
type: symmetry adapted solver
comment: Recognises and exploits bravais lattice point groups

CONJUGATE GRADIENT
type: NamedIndividual
type: electron diagonalization
type: ionic relaxation
see also: Numerical Recipes 3rd Edition: The Art of Scientific Computing 2007 Cambridge University Press

DFT
type: NamedIndividual
type: density functional theory
has pe: KOHN SHAM EQUATION
has osmo pe type id: EL.1

EXPLICIT CORE ELECTRONS
type: NamedIndividual
type: core electron treatment
comment: Corresponding to so-called all-electron calculations

GAMMA POINT ONLY
type: NamedIndividual
type: kpoint mesh
comment: Sample reciprocal space only at the Gamma point

HIGH SYMMETRY
type: NamedIndividual
type: kpoint mesh
comment: (typically user defined) kpoint path along high symmetry line

MARZARI VANDERBILT
type: NamedIndividual
type: electron smearing
see also: Phys. Rev. Lett. 82 3296 1999

METHFESSEL PAXTON
type: NamedIndividual
type: electron smearing
see also: Phys. Rev. B 40 3616 1989

MOLECULAR POINT GROUPS
type: NamedIndividual
type: symmetry adapted solver
comment: Recognises and exploits common molecular point groups

MONKHORST PACK
type: NamedIndividual
type: kpoint mesh
see also: Phys. Rev. B 16 1748 1977

NO SYMMETRY
type: NamedIndividual
type: symmetry adapted solver
comment: No symmetry adapted solution available or it is possible to disactivate symmetry routines

CMake
type: NamedIndividual
type: codelist programming language
type: cmake
in scheme: programming_language
notation: CMake

C++
type: NamedIndividual
type: codelist programming language
type: cpp
in scheme: programming_language
notation: C++

Cuda
type: NamedIndividual
type: codelist programming language
type: cuda
in scheme: programming_language
notation: Cuda

C (language)
type: NamedIndividual
type: codelist programming language
type: c language
in scheme: programming_language
notation: C_language

Fortran
type: NamedIndividual
type: codelist programming language
type: fortran
in scheme: programming_language
notation: Fortran

Fortran2003
type: NamedIndividual
type: codelist programming language
type: fortran
in scheme: programming_language
notation: Fortran2003

Fortran90
type: NamedIndividual
type: codelist programming language
type: fortran
in scheme: programming_language
notation: Fortran90

Fortran95
type: NamedIndividual
type: codelist programming language
type: fortran
in scheme: programming_language
notation: Fortran95

licence
type: NamedIndividual
type: SWO_0000002
type: codelist license
type: license
in scheme: CL LICENSE
notation: licence

Creative Commons
type: NamedIndividual
type: SWO_1000001
type: codelist license
type: license
in scheme: CL LICENSE
notation: Creative_Commons

Proprietary commercial software license
type: NamedIndividual
type: SWO_1000002
type: codelist license
type: license
in scheme: CL LICENSE
notation: Proprietary_commercial_software_license

MPL v1.1
type: NamedIndividual
type: SWO_1000003
type: codelist license
type: license
in scheme: CL LICENSE
notation: MPL_v1.1

GNU GPL
type: NamedIndividual
type: SWO_1000004
type: codelist license
type: license
in scheme: CL LICENSE
notation: GNU_GPL

Apache License Version 2.0
type: NamedIndividual
type: SWO_1000005
type: codelist license
type: license
in scheme: CL LICENSE
notation: Apache_License_Version_2.0

Academic Free License version 3
type: NamedIndividual
type: SWO_1000006
type: codelist license
type: license
in scheme: CL LICENSE
notation: Academic_Free_License_version_3

FreeBSD
type: NamedIndividual
type: SWO_1000007
type: codelist license
type: license
in scheme: CL LICENSE
notation: FreeBSD

Open source software license
type: NamedIndividual
type: SWO_1000008
type: codelist license
type: license
in scheme: CL LICENSE
notation: Open_source_software_license

License without restrictions on derivatives
type: NamedIndividual
type: SWO_1000009
type: codelist license
type: license
in scheme: CL LICENSE
notation: License_without_restrictions_on_derivatives

GNU Project Free License Type
type: NamedIndividual
type: SWO_1000043
type: codelist license
type: license
in scheme: CL LICENSE
notation: GNU_Project_Free_License_Type

GNU GPL Compatible License Type
type: NamedIndividual
type: SWO_1000044
type: codelist license
type: license
in scheme: CL LICENSE
notation: GNU_GPL_Compatible_License_Type

GNU GPL v3
type: NamedIndividual
type: SWO_1000046
type: codelist license
type: license
in scheme: CL LICENSE
notation: GNU_GPL_v3

GNU GPL v2
type: NamedIndividual
type: SWO_1000047
type: codelist license
type: license
in scheme: CL LICENSE
notation: GNU_GPL_v2

CC0 1.0
type: NamedIndividual
type: SWO_1000049
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC0_1.0

CC BY 2.0
type: NamedIndividual
type: SWO_1000050
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY_2.0

CC BY-SA 2.0
type: NamedIndividual
type: SWO_1000052
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-SA_2.0

LPPL v1.3c
type: NamedIndividual
type: SWO_1000053
type: codelist license
type: license
in scheme: CL LICENSE
notation: LPPL_v1.3c

LPPL v1.2
type: NamedIndividual
type: SWO_1000054
type: codelist license
type: license
in scheme: CL LICENSE
notation: LPPL_v1.2

MPL v2.0
type: NamedIndividual
type: SWO_1000055
type: codelist license
type: license
in scheme: CL LICENSE
notation: MPL_v2.0

Artistic License
type: NamedIndividual
type: SWO_1000056
type: codelist license
type: license
in scheme: CL LICENSE
notation: Artistic_License

Artistic License 2.0
type: NamedIndividual
type: SWO_1000057
type: codelist license
type: license
in scheme: CL LICENSE
notation: Artistic_License_2.0

free to use license
type: NamedIndividual
type: SWO_1000061
type: codelist license
type: license
in scheme: CL LICENSE
notation: free_to_use_license

CC BY 4.0
type: NamedIndividual
type: SWO_1000065
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY_4.0

CC BY 2.0 UK
type: NamedIndividual
type: SWO_1000067
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY_2.0_UK

GNU LGPL v3
type: NamedIndividual
type: SWO_1000068
type: codelist license
type: license
in scheme: CL LICENSE
notation: GNU_LGPL_v3

GNU AGPL
type: NamedIndividual
type: SWO_1000069
type: codelist license
type: license
in scheme: CL LICENSE
notation: GNU_AGPL

GNU AGPL v3
type: NamedIndividual
type: SWO_1000070
type: codelist license
type: license
in scheme: CL LICENSE
notation: GNU_AGPL_v3

GNU LGPL v2.1
type: NamedIndividual
type: SWO_1000071
type: codelist license
type: license
in scheme: CL LICENSE
notation: GNU_LGPL_v2.1

CC BY 2.1 JP
type: NamedIndividual
type: SWO_1000072
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY_2.1_JP

CC BY 2.5
type: NamedIndividual
type: SWO_1000073
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY_2.5

CC BY 3.0 AU
type: NamedIndividual
type: SWO_1000074
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY_3.0_AU

CC BY 3.0
type: NamedIndividual
type: SWO_1000075
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY_3.0

CC BY 3.0 US
type: NamedIndividual
type: SWO_1000076
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY_3.0_US

CC BY-ND 3.0
type: NamedIndividual
type: SWO_1000077
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-ND_3.0

CC BY-ND 4.0
type: NamedIndividual
type: SWO_1000078
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-ND_4.0

CC BY-NC 3.0
type: NamedIndividual
type: SWO_1000079
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-NC_3.0

CC BY-NC 4.0
type: NamedIndividual
type: SWO_1000080
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-NC_4.0

CC BY-NC-ND 3.0
type: NamedIndividual
type: SWO_1000081
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-NC-ND_3.0

CC BY-NC-ND 2.5
type: NamedIndividual
type: SWO_1000083
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-NC-ND_2.5

CC BY-NC-ND 2.5 CH
type: NamedIndividual
type: SWO_1000084
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-NC-ND_2.5_CH

CC BY-NC-ND 4.0
type: NamedIndividual
type: SWO_1000085
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-NC-ND_4.0

CC BY-NC-SA 2.5
type: NamedIndividual
type: SWO_1000086
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-NC-SA_2.5

CC BY-NC-SA 3.0
type: NamedIndividual
type: SWO_1000087
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-NC-SA_3.0

CC BY-NC-SA 3.0 US
type: NamedIndividual
type: SWO_1000088
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-NC-SA_3.0_US

CC BY-NC-SA 2.5 IN
type: NamedIndividual
type: SWO_1000089
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-NC-SA_2.5_IN

CC BY-NC-SA 4.0
type: NamedIndividual
type: SWO_1000090
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-NC-SA_4.0

CC BY-SA 2.1 JP
type: NamedIndividual
type: SWO_1000091
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-SA_2.1_JP

CC BY-SA 3.0
type: NamedIndividual
type: SWO_1000092
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-SA_3.0

CC BY-SA 3.0 US
type: NamedIndividual
type: SWO_1000093
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-SA_3.0_US

CC BY-SA 4.0
type: NamedIndividual
type: SWO_1000094
type: codelist license
type: license
in scheme: CL LICENSE
notation: CC_BY-SA_4.0

Open Data Commons
type: NamedIndividual
type: SWO_1000095
type: codelist license
type: license
in scheme: CL LICENSE
notation: Open_Data_Commons

ODbL v1.0
type: NamedIndividual
type: SWO_1000096
type: codelist license
type: license
in scheme: CL LICENSE
notation: ODbL_v1.0

DbCL v1.0
type: NamedIndividual
type: SWO_1000097
type: codelist license
type: license
in scheme: CL LICENSE
notation: DbCL_v1.0

ODC-By v1.0
type: NamedIndividual
type: SWO_1000100
type: codelist license
type: license
in scheme: CL LICENSE
notation: ODC-By_v1.0

PDDL v1.0
type: NamedIndividual
type: SWO_1000101
type: codelist license
type: license
in scheme: CL LICENSE
notation: PDDL_v1.0

Vendor-specific License
type: NamedIndividual
type: SWO_1000103
type: codelist license
type: license
in scheme: CL LICENSE
notation: Vendor-specific_License

Fee-Based Commercial License
type: NamedIndividual
type: SWO_1000137
type: codelist license
type: license
in scheme: CL LICENSE
notation: Fee-Based_Commercial_License

Non-Commercial No-Fee License
type: NamedIndividual
type: SWO_1000140
type: codelist license
type: license
in scheme: CL LICENSE
notation: Non-Commercial_No-Fee_License

Design Science License
type: NamedIndividual
type: SWO_1000147
type: codelist license
type: license
in scheme: CL LICENSE
notation: Design_Science_License

MIT License
type: NamedIndividual
type: SWO_9000074
type: codelist license
type: license
in scheme: CL LICENSE
notation: MIT_License

GNU LGPL
type: NamedIndividual
type: SWO_9000080
type: codelist license
type: license
in scheme: CL LICENSE
notation: GNU_LGPL

Artistic License 1.0
type: NamedIndividual
type: SWO_9000082
type: codelist license
type: license
in scheme: CL LICENSE
notation: Artistic_License_1.0

EPL v1
type: NamedIndividual
type: SWO_9000084
type: codelist license
type: license
in scheme: CL LICENSE
notation: EPL_v1

Modified BSD
type: NamedIndividual
type: SWO_9000085
type: codelist license
type: license
in scheme: CL LICENSE
notation: Modified_BSD

LPPL
type: NamedIndividual
type: SWO_9000086
type: codelist license
type: license
in scheme: CL LICENSE
notation: LPPL

OPL v1.0
type: NamedIndividual
type: SWO_9000087
type: codelist license
type: license
in scheme: CL LICENSE
notation: OPL_v1.0

MPL
type: NamedIndividual
type: SWO_9000088
type: codelist license
type: license
in scheme: CL LICENSE
notation: MPL

MPI
type: NamedIndividual
type: codelist programming language
type: mpi
in scheme: programming_language
notation: MPI

OpenCL
type: NamedIndividual
type: codelist programming language
type: opencl
in scheme: programming_language
notation: OpenCL

OpenMP
type: NamedIndividual
type: codelist programming language
type: openmp
in scheme: programming_language
notation: OpenMP

OpenMPI
type: NamedIndividual
type: codelist programming language
type: openmpi
in scheme: programming_language
notation: OpenMPI

Python
type: NamedIndividual
type: codelist programming language
type: python
in scheme: programming_language
notation: Python

Python 2.7
type: NamedIndividual
type: codelist programming language
type: python
in scheme: programming_language
notation: Python_2.7

Python 3
type: NamedIndividual
type: codelist programming language
type: python
in scheme: programming_language
notation: Python_3

UNIT DEBYE ANGSTROM
type: NamedIndividual
type: ElectricityAndMagnetismUnit
type: unit
conversion multiplier: 3.33564E-40
conversion offset: 0.0
description: Debye Angstrom, i.e., a quadrupole-moment unit, corresponding to 3.33564e-40 C m^2, also referred to as Buckingham
symbol: DA

UNIT KELVIN BOLTZMANN
type: NamedIndividual
type: EnergyAndWorkUnit
type: unit
conversion multiplier: 1.38065E-23
conversion offset: 0.0
description: Kelvin x Boltzmann constant, i.e., an energy unit, corresponding to 1.38065e-23 J
symbol: K k_B

UNIT U
type: NamedIndividual
type: MassUnit
type: unit
conversion multiplier: 1.660539E-27
conversion offset: 0.0
description: Unit of mass corresponding to 1 g/mol, also referred to as Dalton
symbol: u

MASS DENSITY OF SPECIES
type: NamedIndividual
type: R IS MASS DENSITY
type: system composition variable
comment: the mass density of each of the species in the system. If the density is not uniform, this variable represents its spatial average.

NUMBER DENSITY OF SPECIES
type: NamedIndividual
type: R IS NUMBER DENSITY
type: system composition variable
comment: the number density of each of the species in the system. If the density is not uniform, this variable represents its spatial average.

SPACE DIMENSION
type: NamedIndividual
type: R IS DIMENSIONLESS
type: system variable
comment: It is typically 3, but can be 2 or 1 in some models.
comment: The spatial dimension of the considered system, i.e. the number of coordinates needed to univocally specify the position of a point in it.

TARGET PRESSURE
type: NamedIndividual
type: R IS PRESSURE
type: system variable
comment: target pressure, i.e., the pressure that is imposed on the system via some constraint

TARGET TEMPERATURE
type: NamedIndividual
type: R IS TEMPERATURE
type: system variable
comment: target temperature, i.e., the temperature that is imposed on the system via some constraint

TOTAL MASS DENSITY
type: NamedIndividual
type: R IS MASS DENSITY
type: system composition variable
comment: the total (not decomposed into species) mass density of the system. If the density is not uniform, this variable represents its spatial average.

TOTAL NUMBER DENSITY
type: NamedIndividual
type: R IS NUMBER DENSITY
type: system composition variable
comment: the total (not decomposed into species) number density of the system. If the density is not uniform, this variable represents its spatial average.

Restriction
on property: is tool for model
has value: MC
subclass of: Restriction
  on property: has feature
  min qualified cardinality: 1
  on class: sampling algorithm

Restriction
on property: is tool for model
has value: MD
subclass of: Restriction
  on property: has feature
  min qualified cardinality: 1
  on class: integrator

Restriction
on property: is tool for model
has value: MM
subclass of: Restriction
  on property: has feature
  min qualified cardinality: 1
  on class: minimization

Restriction
on property: has interface
min qualified cardinality: 1
on class: application programming interface
subclass of: Restriction
  on property: has an api
  has value: true

Restriction
on property: has interface
min qualified cardinality: 1
on class: command line interface
subclass of: Restriction
  on property: has a cli
  has value: true

Restriction
on property: has interface
min qualified cardinality: 1
on class: data interface
subclass of: Restriction
  on property: has a data interface
  has value: true

Restriction
on property: has interface
min qualified cardinality: 1
on class: graphical user interface
subclass of: Restriction
  on property: has a gui
  has value: true

Restriction
on property: has interface
min qualified cardinality: 1
on class: wrapper
subclass of: Restriction
  on property: has a wrapper
  has value: true

Restriction
on property: has manual
min cardinality: 1
subclass of: Restriction
  on property: has a manual
  has value: true

Restriction
on property: has a cli
has value: false
subclass of: Restriction
  on property: has accessible exe
  has value: false

Restriction
on property: has accessible exe
has value: true
subclass of: Restriction
  on property: has a cli
  has value: true

Restriction
on property: is free
has value: true
subclass of: Restriction
  on property: is free to academic
  has value: true

Restriction
on property: is free to academic
has value: false
subclass of: Restriction
  on property: is free
  has value: false