Esteban Bayro Kaiser (ORCID 0000-0002-5281-0836)
Gianluca Boccardo (ORCID 0000-0003-1264-8237)
Ignacio Pagonabarraga Mora (ORCID 0000-0002-6187-5025)
Vladimir Lobaskin (ORCID 0000-0002-5231-0639)
Martin Thomas Horsch (ORCID 0000-0002-9464-6739)
Silvia Chiacchiera (ORCID 0000-0003-0422-7870)
GNU Lesser General Public License (LGPL) version 3
Virtual Materials Marketplace (VIMMP) project consortium
Combined ontologies developed or co-developed by the VIMMP project
The authors acknowledge funding from the European Union's Horizon 2020 research and innovation programme under grant agreement no. 760907, Virtual Materials Marketplace (VIMMP).
Combined ontology release dated 2nd January 2021
relates a PaaSPort 'Characteristic' to a 'PaaSParameter'
X conceptual_necessity Y == for some property P, A concept for X, B concept for Y, in all realizations [some A] P [some B]
X conceptual_possibility Y == for some property P, A concept for X, B concept for Y, in some realization [all A] P [all B]
: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.
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
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
X has_requirement_satisfied_by Y == in all realizations, X does not occur or [some B] occurs, where B conceptualizes Y
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
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
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, i.e., a relation between immanent entities
X individual_necessity Y == for some P, in all realizations X P Y
X individual_possibility Y == for some P, in some realization X P Y
(A is broader than B): A represents a concept that is a superclass of the concept represented by B
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
(A is narrower than B): A represents a concept that is a subclass of the concept represented by B
X is_sign_for_potential_cooccurrent_of Y == X is_sign_for Z, and Z can_cooccur_with Y
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
X mutual_independence Y == (X can occur without Y) and (Y can occur without X)
X mutual_requirement Y == (X satisfies_requirement_of Y) and (Y satisfies_requirement_of X)
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
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
X n_lnoc_or_rnoc Y == in all realizations, X does not occur or Y does not occur
X n_lnoc_or_roc Y == in all realizations, X does not occur or Y occurs
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
X n_loc_cor_roc Y == in all realizations, [some A] occurs or [some B] occurs; therein, A conceptualizes X, and B conceptualizes Y
X n_loc_or_rnoc Y == in all realizations, X occurs or Y does not occur
X n_loc_or_roc Y == in all realizations, X occurs or Y occurs
X p_lnoc_and_rnoc Y == in some realization, X does not occur and Y does not occur
X p_lnoc_and_roc Y == in some realization, X does not occur and Y occurs
X p_lnoc_cand_rnoc Y == in some realization, [no A] occurs and [no B] occurs; therein, A conceptualizes X, and B conceptualizes Y
X p_lnoc_cand_roc Y == in some realization, [no A] occurs and [all B] occur; therein, A conceptualizes X, and B conceptualizes Y
X p_loc_and_rnoc Y == in some realization, X occurs and Y does not occur
X p_loc_and_roc Y == in some realization, X occurs and Y occurs
X p_loc_cand_rnoc Y == in some realization, [all A] occur and [no B] occurs; therein, A conceptualizes X, and B conceptualizes Y
X p_loc_cand_roc Y == in some realization, [all A] occur and [all B] occur; therein, A conceptualizes X, and B conceptualizes Y
X satisfies_requirement_of Y == in all realizations, [some A] occurs or Y does not occur, where A conceptualizes X
transcendent relation, i.e., a non-immanent relation (involving a transcendent entity)
points to an agent that participates in connunicating through a channel
points to the granularity level to which the entities represented in the file format belong
relates an hpc_job_parameters structure to an HPC job data locator
relates an hpc_job_parameters structure to its hpc_job_id element
relates an hpc_job_parameters structure to its hpc_job_name element
points to a software tool that can process files in a given I/O format
points to an application case that is addressed by the present materials modelling project
points to the project within which a step occurs
points to an application case considered by the translation step
points to a business case considered within translation stage no. 1
points to an indicator (e.g., a KPI) considered by the translation step
points to an industrial case considered within translation stage no. 2
points to a KPI model developed/considered/employed within translation stage no. 6
points to a model considered within translation stage no. 4
points to a use case considered within translation stage no. 3
points to a MODA/OSMO workflow graph considered within translation stage no. 4
points to a business or manufacturing process that is described with this KPI
points to a product that is described with this KPI
points to a KPI that is relevant for the business case
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.
points to information on a contribution to end-user benefit (text plus value)
points to information on a contribution to end-user cost (text plus value)
points to information on the budgeting currency
points to information on the business decision support system
points to the BC aspect containing an abstract or a rough description of the BC in text form
points to information on an industrial case associated with the present BC
points to information on a red zone, i.e., operational or social constraint (contained in text form)
points to information on the return on investment for the end user
points to information on the total end-user benefit
points to information on the total end-user cost
points to a KPI that is relevant for the industrial case
points to information on constraints that need to be taken into account (production capabilities, supply-chain issues, etc.)
points to information on the data access conditions (free or proprietary, who provides the data, etc.)
points to information on the available data sources (documents, citations, databases, or similar)
points to information on the industrial decision support system
points to a variable that occurs in the KPI model (as a model parameter, input, or argument)
agent that carries the main responsibility for the project
points to a step that occurs within the project
points to a KPI that is represented (modelled) by the present KPI model
points to a document produced by or associated with the project step
agent that carries the main responsibility for the project step
points to a decision support system employed within translation stage no. 6
agent that participates in the project step
points to a part of the project (e.g., a work package) that can also be considered as a (smaller) project by itself
points to information on the budget, etc., (i.e., business case), as included in the EMMC Translation Case Template
points to information on the translation decision support system
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
points to information on the involved client (i.e., end user), as included in the EMMC Translation Case Template
points to information on evaluating the translation case (by means of an assessment from VIVO), as included in the EMMC Translation Case Template
points to information on the expected outcome (text description), as included in the EMMC Translation Case Template
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
points to information on the industrial problem (i.e., industrial case), as included in the EMMC Translation Case Template
points to information on the employed KPI model(s)
points to information on the model type (i.e., physical equation type), as included in the EMMC Translation Case Template
points to information on the involved translator, as included in the EMMC Translation Case Template
points to a translation step that occurs within the materials modelling project
points to a business case for which this KPI is relevant
points to an industrial case for which this KPI is relevant
points to the workflow (sub)graph to which a particular use case or materials model applies
points to the use case or materials model considered by a workflow (sub)graph
points to the materials model considered by a workflow (sub)graph
points to the use case considered by a workflow (sub)graph
[G contains R] if R occurs as a proper part/component of graph G
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
points to a parameter that is determined before workflow execution begins, i.e., an input parameter that is not specified by the user
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
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)
points to a parameter (e.g., variable or input value) occurring in a condition
points to an application-case aspect (as in MODA or extensions of MODA)
points to an aspect associated with the respective OSMO/MODA section
points to an annotation object (i.e., a non-paradigmatic object) associated with an aspect/subsection
points to an object associated with an aspect/subsection
points to a paradigmatic object associated with an aspect/subsection
points to information on the application decision support system
[G has_cause F] means that in every execution, F needs to finish before G can begin
points to a constraint of the optimization problem
value associated with a logical variable at any concrete state/point in time, either explictly specified or clear from context
value to be associated with a logical variable in the absence of any other overriding assertion
points to a variable that contains the (dynamic) array size; convention: element indices run from 0 to the array size minus one
unit in which values of array elements are given (does not apply if the array elements are logical structures)
value associated with an elementary logical variable
value associated with an elementary logical variable in a terminal state, e.g., at the end of a workflow or subworkflow execution
value associated with a logical variable in a terminal state, e.g., at the end of a workflow or subworkflow execution
points to the generic representation of the array elements (which is the same for all index values)
points to the logical variable/index to which multiple values are assigned
unit in which the index values are given (not required; in many typical cases, the index is dimensionless)
value associated with a logical variable in an initial state, e.g., at the start of a workflow or subworkflow execution
points to information that plays a role within the respective OSMO/MODA section
points to physical information that plays a role within the respective OSMO/MODA section
points to a format employed for I/O in the technical implementation of the respective OSMO/MODA section
points to information that needs to be provided
points to information required or produced by a OSMO/MODA section
points to information that is obtained as a result from the respective OSMO/MODA section
points to the element function associated with the present material information (an OSMO/MODA section can have multiple material informations, describing different units)
points to a target quantity that is to be maximized
points to a target quantity that is to be minimized
points to an aspect associated with a materials model (as in MODA)
points to required physical (thermodynamic or mechanical) information, which needs to be provided, e.g., from the output of another OSMO/MODA section
points to desired physical (thermodynamic or mechanical) information which is obtained as a result from the respective OSMO/MODA section
points to an aspect associated with a processor
OSMO-only subsection 4.4, extending MODA
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
points to a node that contains a logical resource with (all or part of) the end outcome of the simulation workflow
points to the overview of a simulation workflow
points to an aspect of a simulation overview (following MODA)
points to an aspect associated with a solver
points to one particular array element (identified by a specific index value)
points to the position, or a position, where the workflow execution begins
points to a subgraph, i.e., a graph that is subordinate (to the present graph) by containment and/or instantiation
unit associated with any assigned decimal values
points to the position, or a position, where the workflow execution terminates
points to a use-case aspect (as in MODA)
points to information on the use-case decision support system (UDSS)
points to a value associated with a logical variable
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
points to a materials modelling project that addresses the present application case
[F is_contained_within G] if F is contained within graph G, e.g., as a subgraph
whenever one or several conditions are not fulfilled, a resource that is contingent on them is absent/inactive
if [F is_coupled_with G] they must occur synchronously when a workflow that contains them is executed
if [F is direct cause of G] there is an immediate link by which G depends on the conclusion of F
format by which the present logical variable is represented in the technical implementation of a simulation workflow
two workflow graphs F and G are independent if they (and any of their subgraphs) are not coupled or linked to each other
if [F is linked to G] they cannot be executed concurrently; one side depends on the completion of the other side
points to a course that is offered as part of the activities carried out as a training service
points to an operator, operand, implementation, or example specifier of a learning outcome
points to an object to which an information content entity refers
points to the course to which the given training unit belongs
[A allows B] means that B, who is an interlocutor, must be granted access
[A allows_all C] means that all interlocutors from group C must be granted access
The expression [A contains B] means that B is a proper part of A, where A and B are both communications
relation that connects equivalent or approximately equivalent titles (e.g., versions in different languages or from different countries)
[A excludes B] means that B, who is an interlocutor, must be denied access
[A excludes_all C] means that all interlocutors from group C must be denied access
(C follows D): C and D are messages, and C addresses or refers to D
regulates (read) access to the communicated content
content that needs to be added to an address, e.g., additional address lines
points to the agent that has issued the given communication
format of the file associated with this communication by the relation has_file_content_locator
points to an object (which can be any resource on the semantic web) that constitutes a/the communicated content
relates the message to a signal statement such as 'I like'
points to a certificate for which a certifier is (co-)responsible, having either issued the certificate or formally approved of its content
the two titles refer to the same degree, only that this one is a longer written form of it than the other
(C is_followed_by D): C and D are messages, and D addresses or refers to C
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)
relation corresponding to the hierarchical order of titles
points to a country where this title is recognized and used in the given form
the two titles refer to the same degree, only that this one is a shorter written form of it than the other
this relation applies if the difference between the two given titles essentially reduces to a choice of language or country
relation that determines the order in which title prefixes are written down
relation that determines the order in which title suffixes are written down
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).
Relates a software tool to operating systems.
Relates objects in ways that are other than parthood, ability, dependence, similarity and documentation.
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).
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).
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).
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).
Points to a description, explanation or classification of an object.
To describe the (solver and model) features of a software tool.
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
Note: this property is meant to be irreflexive (owl:IrreflexiveProperty), but the OWL language does not allow to impose this constraint
It concerns the constitution of an object (also in the sense of the participants of a process).
points to the VIMMP human agent(s) to be contacted about the given software
[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
Asserts compatibility (i.e., the ability to exchange information directly, with no need to interface) between sofware tools.
Is a description, explanation or classification of an object.
[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.
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.
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.
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).
Relates a software tool to libraries and/or operating systems.
Relates objects based on similarity, intended as some common aspect.
points to the object evaluated by an assessment
points to an assertion made within an assessment
connects a certificate to the certifier who is responsible for the included assessment (not necessarily identical with the author who communicates the certificate)
points to an accuracy assertion contained within a material property information
points to the unit in which any numerical contents of an assertion are given
points to the physical property characterization following QUDT
points to the material to which a material assertion refers
points to the material property (MP) to which a material assertion refers
[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)
[X has_attached_variable Y] means that the model object X (say, a particle) has an attached variable Y (say, its mass or velocity)
Points to the position of a point in space.
[X involves_function Y] means that there is a mathematical expression or an algorithmic formulation of X that contains the function Y
[X involves_variable Y] means that there is a mathematical expression or an algorithmic formulation of X that contains the variable Y
[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.
[X shares_value_with Y] means that the variables X and Y have the same numerical value
relates a PaaSParameter to an elementary data value
specifies a/the name of a computational resource
step no. from the EMMC Translators Guide corresponding to the translation step
plain-text summary of the industrial case
description of a project objective in text form
description of the project step in text form
plain-text summary of the translation case
plain-text summary of the application case
numerical value associated with an aspect/subsection (as in MODA)
plain-text description of an aspect/subsection (as in MODA)
points to the Chemical Abstracts Service Registry Number (CASRN, or CAS number) associated with a material
indicates whether any of the multiple instantiations of this resource are coupled (synchronized) with each other
points to the EC number (i.e., the European common market number) associated with a material
this property can be used to assign a variable name to the array index
points to each of the multiple values that are given to the index
indicates whether any of the multiple instantiations of this resource are sequentially linked to each other
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)
label to be used, e.g., in graph representations and for other visualization purposes
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 ')
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 ')
value that gives the array size; convention: element indices run from 0 to the array size minus one
identifies a term by a non-negative integer number; in particular, use for array terms (numbering convention: from 0 to array size minus 1)
plain-text summary of the MODA/OSMO use case
identifies a variable by a non-negative integer number; in particular, use for logical arrays (numbering convention: from 0 to array size minus 1)
URL of a diagram ('workflow picture' according to the MODA cover sheet) illustrating the simulation workflow
states whether an external entity (user interaction, or some process not represented in the workflow) has write access to this resource at execution time
to be used for URLs that are external to the respective infrastructure
to be used for URLs pointing to the internal storage belonging to an infrastructure (e.g., Osthus cloud)
xs:string representation of the information content
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)
any date (submission, expiry, etc.) associated with a communication
this may be a URL or a path where the file can be accessed
fractional extent to which the communication has been processed; minimum: 0 for zero progress, maximum: 1 for completion
is true if there is a part of the title that goes before the name, such as Dr.
title (or part of it) that goes before the name
is true if there is a part of the title that goes after the name, such as jr.
title (or part of it) that goes after the name
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).
Datatype property that is other than parthood, ability, dependence, similarity and documentation.
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).
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).
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
identifies the main name of a software, without version information
Generic memory requirement, can concern both storage and RAM
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.
identifies the version of a software (can be a number or a suffix in the name)
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)
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).
Datatype property based on similarity, intended as some common aspect.
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.
Points to the scope of a variable (e.g. OBJECT, PAIR, SYSTEM, UNIVERSE)
Species in a broad sense (chemical species in atomistic models, particle/object type in general).
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.
Indicates whether a variable is a physical variable (i.e., an EMMO property) or not.
network as a hardware infrastructure and PaaS resource (Network [= Resource [= PaaSCharacteristic)
network parameter 'of an offering' (here, specifically a Network) according to the PaaSPort ontology; taxonomically, NetworkParameter [= ResourceParameter [= NonFunctionalParameter [= MatchmakingParameter [= PaaSParameter
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, i.e., an agent that consists of multiple constituent agents, but not in an institutionalized form
annotation, i.e., a non-paradigmatic aspect of any entity covered by EVMPO or a subordinate marketplace-level or subdomain-specific ontology
assessment, i.e., proposition on accuracy or performance of an entity or on somebody's trust in an entity
business process, i.e., a process-level description of business activities
communication, i.e., a statement or collection of statements that is communicated by a stakeholder on a (communication) channel
computational process, i.e., a process by software is executed on hardware, and by which data may be generated or altered
data infrastructure, i.e., any infrastructure concerning material property data/metadata, model (parameter) data/metadata, or similar repositories and databases
declaration, i.e., a communication message that is submitted without a recipient
declaration, i.e., a message without recipient
endorsement_assessment, i.e., an assessment (proposition) by which an entity is claimed to be good or fit for a certain purpose
expert, i.e., a human agent who can provide competencies and expertise
material object that is marketed as a good
hardware infrastructure, i.e., infrastructure concerning hardware resources
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, i.e., an information content entity as characterized by the IAO
infrastructure, i.e., an entity representing marketplace infrastructure such as hardware, a repository, or software
institution, i.e., any permanent association, organization, office, or comparable entity that has the capability of acting at a virtual marketplace
interlocution, i.e., a communication message that is submitted to one or multiple recipients
interlocution, i.e., a message that has at least one recipient
any document (e.g., a contract or a quotation) related to legal issues
manufacturing process, i.e., a physical process that serves the production of a good
material property, i.e., a property associated with a material
thermodynamic or mechanical behaviour of a material (referring either to the real material itself or a model thereof)
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 property, i.e., a property associated with a physical process
process, i.e., the temporal evolution of one or multiple entities
product, i.e., a good or service which can be offered either on a virtual marketplace or off-site
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
activity or (fully or partially) immaterial object that is marketed as a service
simulation, i.e., a simulation workflow (including a single simulation as special case)
software infrastructure, i.e., infrastructure concerning software, licensing, etc.
stakeholder, i.e., an agent that acts at one or multiple virtual marketplaces
statement, i.e., an elementary communication that cannot be further decomposed into multiple statements
any service that can be traded on a virtual marketplace
any document (e.g., manual, textbook, video, or collection of slides) that can help at acquiring competencies
event at which training activities occur, equivalent to Event from CCSO
entity that can be accessed to acquire/develop competencies in the field of materials modelling and simulation
translator as characterized by the EMMC Translators' Guide and the EMMC Translation Case Template
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
any non-spacetime entities (hence, not covered by the EMMO) are to be subsumed under this class
factual entity, i.e., an entity that occurs in fact
fictional_entity entity, i.e., an entity that, in fact, does not occur
immanent entity, i.e., something that may or may not occur within a realization
impossible entity, i.e., an entity that does not occur in any realization
necessary entity, i.e., an entity that occurs in every realization
non-necessary entity, i.e., an entity that does not occur in all realizations
possible entity, i.e., an entity that occurs in at least one realization
realization, i.e., a scenario, possible world, or environment
transcendent entity, i.e., a non-immanent entity (e.g., a realization)
channel (for communication), i.e., a data infrastructure in which communication processes (semioses) occur
computational resource, i.e., an infrastructure that can be accessed by means of data, hardware, or software related services
computational resource service, i.e., an infrastructure service providing access to (or use of) a computational resource
force field format, i.e., a format representing an atomistic or mesoscopic materials relation (force field)
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, i.e., a unique elementary logical variable containing the ID from the scheduler
HPC job name, i.e., a unique elementary logical variable containing the name of a job submitted to the scheduler
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
a scheduling/queueing service on an HPC infrastructure, e.g. following the IEEE 1003.1-2008 standard, providing access to that HPC infrastructure
infrastructure service, i.e., a service providing access to (or use of) an infrastructure
I/O format, i.e., syntactical convention to which a technical I/O implementation can adhere
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, i.e., an I/O format that encodes a materials relation or part of a materials relation
model database, i.e., a repository that can act as a model provider
solver parameter format, i.e., an I/O format that is used to steer or parameterize a solver
stream format, i.e., a syntactical standard for streams
textual XML format, i.e., an XML-based textual file format
acceptance statement, i.e., a decision statement by which a solution statement is accepted, so that a materials modelling project can begin
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.
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)
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)
information on the business decision support system (BDSS)
aspect containing an abstract or a rough description of the BC in text form
information on an industrial case associated with the present BC
information on a red zone, i.e., operational or social constraint (contained in text form)
information on the return on investment for the end user (to be provided as a xs:decimal value content)
information on the total end-user benefit (to be provided as a xs:decimal value content)
information on the total end-user cost (to be provided as a xs:decimal value content)
business case, i.e., an application case with a focus on economic/business aspects
business decision support system (BDSS), i.e., a decision support system that occurs in a business case
closing statement, i.e., a project statement by which a materials modelling project is finalized
computational KPI, i.e., an objective KPI that is determined computationally
decision statement, i.e., a negotiation statement by which an end user communicates a final decision on a proposed solution statement
information on the constraints that need to be taken into account (production capabilities, supply-chain issues, etc.)
information on the data access conditions (free or proprietary, who provides the data, etc.)
information on the available data sources (documents, citations, databases, or similar)
information on the industrial decision support system (IDSS)
indicator, i.e., a property (in the sense of the EVMPO) that can be employed as an optimization objective
industrial case, i.e., an application case with a focus on industrial/manufacturing aspects
industrial decision support system (IDSS), i.e., a decision support system that occurs in an industrial case
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 (KPI), i.e., an indicator associated with the performance of a product or process
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)
materials modelling project, i.e., a project that aims at realizing a materials modelling workflow that can be represented by MODA/OSMO
modelling statement, i.e., a translation statement that relates to a MODA graph and/or application/use case (following OSMO)
negotiation statement, i.e., a translation statement that relates to negotiations on a materials modelling project
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, i.e., a project statement by which a materials modelling project is initialized
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, i.e., an undertaking of one or several stakeholders aiming at reaching a pre-specified objective within limited time
project statement, i.e., a translation statement that relates to an agreed materials modelling project
translation step as specified by the EMMO Translators Guide
acceptance statement, i.e., a decision statement by which a solution statement is rejected (not leading to a materials modelling project)
solution statement, i.e., a MODA statement by which a modelling and simulation solution is provided in response to a problem statement
status statement, i.e., a project statement by which the status of an ongoing materials modelling project is communicated
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)
information on the budget, etc., (i.e., business case), as included in the EMMC Translation Case Template
information on the translation decision support system (TDSS)
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
information on the involved client (i.e., end user), as included in the EMMC Translation Case Template
information on evaluating the translation case (by means of an assessment from VIVO), as included in the EMMC Translation Case Template
information on the expected outcome (text description), as included in the EMMC Translation Case Template
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.)
information on the industrial problem (i.e., industrial case), as included in the EMMC Translation Case Template
information on the employed KPI model(s)
information on the model type (i.e., physical equation type), as included in the EMMC Translation Case Template
information on the involved translator, as included in the EMMC Translation Case Template
technological KPI, i.e., an objective KPI that is observed/measured within a technical or experimental process
translation case, i.e., an application case that can be described as specified by the EMMC Translation Case Template
translation decision support system (TDSS), i.e., a decision support system that occurs in a translation case
translation statement, i.e., a EVMPO/VICO statement which, as its main feature or purpose, relates to translation
Translation step no. 1: Good understanding of the business case
Translation step no. 3: Analysis of the experimental and modelling data available to the end user
Translation step no. 6: Evaluate the simulation results to facilitate an actionable decision
Translation step no. 5: Propose and agree on an execution and validation strategy
Translation step no. 2: Good understanding of the industrial case
Translation step no. 4: Translation to simulation workflows (preferably more than one)
application case, i.e., a scenario, point of view, or subjective or negotiated set of aims
application-case aspect (similar as in MODA or extensions of MODA)
information on the decision support system
application decision support system, i.e., a decision support system that occurs in an application case
boundary condition, i.e., any given information that needs to be taken into account
CAS listed material, i.e., a material that has a Chemical Abstracts Service Registry Number (CASRN, or CAS number)
solver computational representation (MODA subsection 3.4), characterizes/describes how the solver numerically represents the model and/or the material
solver CR of the material, i.e., a computational representation that combines model and material (or use case) aspects
solver CR of the material, i.e., a computational representation of the considered use case or material
solver CR of the model, i.e., a computational representation of (all or part of) the governing equations of the employed materials model
solver CR of MR, i.e., a computational representation specifically of one or multiple materials relations (MR)
solver CR of PE, i.e., a computational representation specifically of one or multiple physical equations (PE)
concrete graph, i.e., a workflow graph that is a concrete (non-virtual) workflow resource
condition, i.e., a statement concerning values of properties and/or parameters and/or their relation to each other
contingent graph, i.e., a virtual graph that is only present/active if one or multiple conditions are fulfilled
coupled processor, i.e., a processor that is synchronized with a solver and operates on the fly
coupled processor method type, i.e., a method type associated with a coupled processor
data processor, i.e., a processor that is not coupled or immediately linked to a solver
data processor method type, i.e., a method type associated with a data processor
decision support system, i.e., a data and software infrastructure that facilitates decision support
EC listed material, i.e., a material that has an EC number and is traded on the European common market
EINECS listed material, i.e., an EC listed material from the European Inventory of Existing Commercial Chemical Substances (EINECS)
elementary logical, i.e., a logical variable that does not contain any (sub-)variables as structure elements
elementary term, i.e., a logical term without any internal structure
elementary value, i.e., an entity that can be assigned to an elementary logical (variable) as its value
ELINCS listed material, i.e., an EC listed material from the European List of Notified Chemical Substances (ELINCS)
error statement, i.e., an aspect that contains an accuracy assertion
geometry information, i.e., geometry considered by an OSMO/MODA section
governing equation (GE) as defined by RoMM, i.e., a physical equation (PE) or materials relation (MR)
granularity level (from RoMM), i.e., electronic, atomistic, mesoscopic, or continuum level according to RoMM
indexed graph, i.e., a virtual graph that is instantiated multiple times, with an index
logical access, i.e., a notational process/connection by which an OSMO/MODA section accesses a logical resource
logical collection, i.e., a logical variable that can carry multiple values (e.g., representing a set, map, list, or array)
logical constant, i.e., a logical variable with constant value
logical node, i.e., a workflow node that contains exactly one logical resource
logical read access, i.e., a notational process/connection by which an OSMO/MODA section reads from a logical resource
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, i.e., a logical variable that contains (sub-)variables as structure elements
logical term, i.e., a logical variable or a value that can be assigned to a logical variable
logical value, i.e., an entity that can be assigned to a logical variable as its value
logical write access, i.e., a notational process/connection by which an OSMO/MODA section writes to a logical resource
material information, i.e., aspect related to the material considered by an OSMO/MODA section
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)
maximization objective, i.e., a target quantity that is to be maximized
method type, i.e., type and/or name information on a method employed by an OSMO/MODA section
minimization objective, i.e., a target quantity that is to be minimized
model aspect, i.e., an aspect of a materials model
model boundary condition (MODA subsection 2.5), characterizes/describes a boundary condition that is applied to the model
model error statement, characterizes/describes the error or uncertainty associated with a model
model granularity aspect (MODA subsection 2.2), characterizes the RoMM granularity level of a model
model type (MODA subsection 2.1), characterizes/describes the model type or class or the approach to modelling that is followed
NLP listed material, i.e., an EC listed material from the No-Longer-Polymers (NLP) List
optimization objective, i.e., a logical variable that is employed as a criterion during optimization
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).
publication that documents data pertaining to the present simulation workflow (MODA cover page, aspect 3)
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.
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.
General description of the use case (MODA cover page, aspect 1), to be provided as plain-text content
parameter aspect, i.e., an aspect characterizing a parameter associated with an OSMO/MODA section
atomistic physical equation type, i.e., a PE type that at the atomistic granularity level
PE type A.1: Classical-mechanical density functional theory (atomistic)
PE type A.3: Molecular dynamics (atomistic)
PE type A.2: Molecular statics (atomistic), energy minimization
PE type A.4: Partition function (atomistic), e.g., for a Monte Carlo solver
PE type A.6: Statistical transport model (atomistic)
continuum physical equation type, i.e., a PE type that operates at the continuum granularity level
PE type CO.7: Continuum electromagnetism model (including optics, magnetism, etc.)
PE type CO.3: Continuum modelling of heat transfer and thermomechanics
PE type CO.4: Phase field model or continuum density gradient theory
PE type CO.8: Continuum process model (including devices and components of chemical/mechanical processes, flow-chart models, etc.)
PE type CO.6: Continuum modelling of chemical reaction kinetics
electronic physical equation type, i.e., a PE type at the electronic granularity level
PE type EL.4: Statistical charge transport model
PE type EL.2: Electronic many-body and/or effective Hamiltonian model
PE type EL.1: Ab-initio quantum mechanical (or first principle) model
PE type EL.5: Statistical electron spin transport model
PE type EL.3: QM model of the response to time-dependent fields
mesoscopic physical equation type, i.e., a PE type at the mesoscopic granularity level
PE type M.1: Classical-mechanical density functional theory (mesoscopic)
PE type M.3: Molecular dynamics (mesoscopic), i.e., coarse-grained or united-atom modelling
PE type M.2: Molecular statics (mesoscopic), i.e., energy minimization
PE type M.4: Partition function (mesoscopic), e.g., for a Monte Carlo solver
PE type M.6: Statistical transport model (mesoscopic)
physical equation (PE) as defined by RoMM, cf. MODA subsection 2.3
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, i.e., a logical variable defined in terms of a material property
postprocessor, i.e., a processor that operates subsequent to a solver or during solver finalization
postprocessor method type, i.e., a method type associated with a postprocessor
preprocessor, i.e., a processor that operates before a solver or during solver initialization
preprocessor method type, i.e., a method type associated with a preprocessor
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, i.e., an aspect of a processor (as in MODA)
processor error statement (MODA subsection 4.3), characterizes/describes the error or uncertainty associated with a processor output
processor method type (MODA subsection 4.2), characterizes/describes the methodology employed by a processor
processor software (OSMO aspect 4.4, extending MODA), characterizes/describes a code/package to be used as a processor
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, 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, i.e., a simulation overview, application case, model, solver, or processor (as in MODA)
section aspect, i.e., a descriptor of an application case, model, solver, or processor that can be represented by a section
section description, i.e., any descriptive-type information concerning an OSMO/MODA section
section literature, i.e., a literature reference associated with an OSMO/MODA section
Simulation overview aspect, i.e., an aspect of a simulation overview (as specified in the MODA cover page)
simulation workflow, i.e., a (complete) workflow graph of an actually executable simulation workflow
software, i.e., an executable numerical artefact
MODA solver aspect, i.e., an aspect of a solver (similar to MODA)
solver boundary condition (MODA subsection 3.5), characterizes/describes a computational boundary condition of a solver
solver error statement, characterizes/describes the error or uncertainty associated with a solver output
solver method type (MODA subsection 3.1), characterizes/describes the name and type of the solver
solver parameter (MODA subsection 3.6), i.e., a parameter of a solver
solver software (MODA subsection 3.2), characterizes/describes a code/package to be used as a solver
solver time step (MODA subsection 3.3), numerical time step employed by the solver
structure term, i.e., a logical term with an internal structure
structure value, i.e., an entity that can be assigned to a logical structure as its value
temporal discretization, i.e., temporal discretization approach conceptually underlying an OSMO/MODA section
time span information, i.e., statement on the time interval considered, modelled, or represented by an OSMO/MODA section
logical scalar, i.e., an logical variable that can have only one value at the same time
unique physical constant, i.e., a physical variable with a unique constant value
Unit function, i.e., purpose or impact of one out of multiple coexisting units of the same or similar type
use-case boundary condition (MODA subsection 1.5), characterizes/describes a thermodynamic, spatio-temporal, or any other boundary condition
information on the use-case decision support system (UDSS)
use-case decision support system (UDSS), i.e., a decision support system that is applied to a use case
use-case description (MODA subsection 1.1), describes aspects of a use case textually
use-case geometry information (MODA subsection 1.3), characterizes/describes the considered system geometry
use-case literature (MODA subsection 1.6), cites a reference that is relevant or of interest for the use case
use-case material information (MODA subsection 1.2), characterizes/describes the considered material
use-case time span (MODA subsection 1.4), characterizes/describes the considered time interval
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, 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, i.e., a workflow graph that contains exactly one workflow resource
workflow resource, i.e., a workflow entity that can be contained as a node-like element or as a subgraph by a workflow graph
audio recording, i.e., a recording with audio-only content
author identifier, i.e., a descriptor by which an author can be identified
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, i.e., a numbered entry within an indexed collection of author identifiers
book, i.e., a publication that has an ISBN
book citation, i.e., a citation that is about a book
carrier, i.e., document or calendar event that carries the contents of a course
CCS concept, i.e., a topic included in the 2012 ACM Computing Classification System developed by the ACM
DOI citation, i.e., a citation that has a DOI
example specifier, i.e., a concrete example of how the competency may be exercised in practice
an expert competency, i.e., an expert-level learning outcome
expert operator specifier, i.e., an competency statement operator specifier for expert-level competencies
focus, i.e., a studied object, topic, training objective, or an aspect or constitutive part thereof
implementation specifier, i.e., a process or procedural aspect of the specified competency
instructor, i.e., an individual human agent with expertise who can take responsibility for courses, training units, or training services
journal article citation, i.e., a citation that is about a journal article
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, i.e., an operator from the catalogue for natural-science subjects agreed upon by the German Federal Conference of State Cultural Ministries (KMK)
materials modelling topic, i.e., a topic related to the subject area of materials modelling, understood broadly
basic prerequisites for materials modelling studies (codes 1XXX and 2XXX)
basic prerequisites in chemical and process engineering, biotechnology, petrochemistry, and organic chemistry (code 11XX or 21XX)
basic prerequisites in economics, marketing, and business administration (code 12XX or 22XX)
basic prerequisites in information technology, computer science, and progamming (code 13XX or 23XX)
basic prerequisites that are best described as equally belonging to multiple fields (code 18XX or 28XX)
basic prerequisites in materials science and general or inorganic chemistry (code 14XX or 24XX)
basic prerequisites in mathematics (code 15XX or 25XX)
basic prerequisites in mechanical, aerospace, civil, electrical, and general engineering (code 16XX or 26XX)
basic prerequisites in physics (code 17XX or 27XX)
secondary or pre-undergraduate level education topics and general areas of basic knowledge (code 19XX or 29XX)
a topic related to computational and numerical aspects of materials modelling (code 3XXX if unique, 8XXX if interdisciplinary)
computational aspects of (non-electronic, classical-mechanical) continuum modelling (code 33XX)
computational aspects of discrete (atomistic and mesoscopic) modelling (code 32XX)
computational aspects of electronic modelling (code 31XX)
computational aspects of classical and/or quantum mechanics (code 38XX)
computational aspects of interfacial phenomena and multiphase or heterogeneous systems (code 35XX)
computational aspects of non-equilibrium states and physical processes (code 34XX)
rare-event simulation methods (code 346X)
computational aspects of statistical mechanics and statistical approaches to materials modelling (code 36XX)
computational aspects of phenomenological thermodynamics (code 37XX)
a topic related to data science and technology aspects of materials modelling (code 4XXX if unique, 8XXX if interdisciplinary)
a topic beyond UG level that is best described as being shared by multiple of the main aspects (code 8XXX)
an interdisciplinary topic beyond UG level that mainly combines computational and data-science aspects (code 834X)
an interdisciplinary topic beyond UG level that mainly combines computational and material-property aspects (code 835X)
an interdisciplinary topic beyond UG level that mainly combines computational and side-interest aspects (code 839X)
an interdisciplinary topic beyond UG level that mainly combines computational and socio-economic aspects (code 836X)
an interdisciplinary topic beyond UG level that mainly combines computational and theoretical aspects (code 837X)
an interdisciplinary topic beyond UG level that mainly combines data-science and material-property aspects (code 845X)
an interdisciplinary topic beyond UG level that mainly combines data-science and side-interest aspects (code 849X)
an interdisciplinary topic beyond UG level that mainly combines data-science and socio-economic aspects (code 846X)
an interdisciplinary topic beyond UG level that mainly combines data-science and theoretical aspects (code 847X)
an interdisciplinary topic beyond UG level that mainly combines material-property and side-interest aspects (code 859X)
an interdisciplinary topic beyond UG level that mainly combines material-property and socio-economic aspects (code 856X)
an interdisciplinary topic beyond UG level that mainly combines material-property and theoretical aspects (code 857X)
an interdisciplinary topic beyond UG level that mainly combines socio-economic and side-interest aspects (code 869X)
an interdisciplinary topic beyond UG level that mainly combines socio-economic and theoretical aspects (code 867X)
an interdisciplinary topic beyond UG level that mainly combines theoretical and side-interest aspects (code 879X)
a topic related to materials, including but not limited to fluids, and their properties (code 5XXX if unique, 8XXX if interdisciplinary)
a topic that relates to biomaterials (codes 5300 to 5349)
a topic that relates to ceramic materials (codes 5350 to 5399)
a topic that relates to composite materials (codes 5400 to 5449)
a topic that relates to electrolyte materials (codes 5450 to 5499)
a topic that relates to soft-matter science and engineering and fluid materials (code 52XX)
a topic that relates to multiple or all fields of materials science and engineering (code 51XX)
a topic that relates to metals (codes 5500 to 5549)
a topic that relates to minerals (codes 5550 to 5599)
a topic that relates to nanostructured, dispersed, or nanoscopic materials (codes 5600 to 5649)
a topic that relates to organic matter in materials science and engineering (codes 5650 to 5699)
a topic that relates to electrolyte materials (codes 5700 to 5749)
a topic that relates to semiconductor materials (codes 5750 to 5799)
a topic that relates to specific phenomena in materials science and engineering (code 59XX)
a topic that relates to ultracold materials science and engineering (codes 5800 to 5849)
a topic that relates to unstable, metastable, and transition states of materials (codes 5850 to 5899)
a topic from other disciplines that can be a side interest from the point of view of materials modelling (code 9XXX)
a topic related to social, economic, and community aspects of materials modelling (code 6XXX if unique, 8XXX if interdisciplinary)
a topic that relates to industrial production/manufacturing (code 61XX)
a topic that relates to production/manufacturing in the aerospace sector (code 6142/6143)
a topic that relates to production/manufacturing in the automotive sector (code 6144-6147)
a topic that relates to production/manufacturing in biotechnology, excluding pharmaceutical applications (codes 6150 to 6154)
a topic that relates to production/manufacturing in the chemical industry, including polymers, but excluding the petrochemical industry (codes 612X)
a topic that relates to production/manufacturing of electrical products and equipment (codes 6170 to 6174)
a topic that relates to production/manufacturing in food-related industries, including beverages and tobacco (codes 6155 to 6159)
a topic that relates to production/manufacturing of industrial machinery and equipment (codes 6175 to 6179)
a topic that relates to production/manufacturing in industries related to pharmaceutical and medical applications (codes 6160 to 6164)
a topic that relates to the production/manufacturing of basic and fabricated metal (code 618X)
a topic that relates to production/manufacturing of wood and paper based products, including printing (codes 6165 to 6169)
a topic that relates to production/manufacturing in the petrochemical industry (codes 613X)
a topic that relates to production/manufacturing in the railway sector (code 6148)
a topic that relates to specific aspects or fields of industrial production/manufacturing (code 619X)
a topic that relates to production/manufacturing in transportation-related industries, e.g., automotive, aerospace, and railways (code 614X)
a topic related to (non-computational) theoretical aspects of materials modelling (code 7XXX if unique, 8XXX if interdisciplinary)
theoretical aspects of (non-electronic, classical-mechanical) continuum modelling (code 73XX)
theoretical aspects of discrete (atomistic and mesoscopic) modelling (code 72XX)
theoretical aspects of electronic modelling (code 71XX)
theoretical aspects of classical and/or quantum mechanics (code 78XX)
theoretical aspects of interfacial phenomena and multiphase or heterogeneous systems (code 75XX)
theoretical aspects of non-equilibrium states and physical processes (code 74XX)
theoretical aspects of statistical mechanics and statistical approaches to materials modelling (code 76XX)
theoretical aspects of phenomenological thermodynamics (code 77XX)
operand specifier, i.e., an entity acted upon by an operator specifier
operator level, i.e., a requirement level for competency statement operators
operator specifier, i.e., the type of activity facilitated by an acquisition of the specified competency
physics subject heading, i.e., a topic included in the PhySH list developed by the APS
presentation, i.e., a document that can be presented to a group of people as is
recording, i.e., a recorded presentation
slide presentation, i.e., a presentation in the form of slides
specifier, i.e., a constitutive element of a learning outcome (acquired competency) description
a training document is a document (as defined by IAO) that is related to training content on a virtual marketplace
a training service is a tradeable object that provides training contents or activities
an elementary (part of a) course that is not further subdivided into course parts
video citation, i.e., a citation that is about a video recording
video recording, i.e., a recording with video content
academic title, i.e., a titular rank that corresponds to an academic degree
access rule, i.e., a communication annotation that specifies who is allowed to read the communicated content
agent assembly, i.e., an agent entity that can have other agents as temporary or permanent constituent members
appendix, i.e., a statement that cannot stand alone and needs to be combined with a communication body
certifier, i.e., an agent who can issue certificates (communications that contain assessments)
certifying expert, i.e., a certifier who is also an expert
certifying resource, i.e., a certifier who is not a human agent
collocution, i.e., an interlocution which, as its main feature or purpose, comments or adds material or data to another message
comment, i.e., a collocution that serves the purpose of commenting on another message
completed status, i.e., a processed status expressing 1.0 fractional progress (100% completion)
doctoral title, i.e., an academic title that signifies the possession of a doctorate degree
interlocutor, i.e., an entity that can (potentially) send and receive communications at a virtual marketplace
Interlocutor groups are conceptualizations for subclasses of the concept 'interlocutor'.
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, i.e., an annotation that characterizes kinds of interlocutors
label, i.e., a remark or information item that can be carried by (i.e., associated with) a communication
legal communication, i.e., a communication which, as its main feature or purpose, relates to legal, financial, or contractual issues
legal statement, i.e., a statement which, as its main feature or purpose, relates to legal, financial, or contractual issues
marketplace subject, i.e., an interlocutor who acts at one or multiple virtual marketplaces
message, i.e., a stand-alone communication (as opposed to an appendix)
nondoctoral title, i.e., an academic title which does not confer a doctorate and also usually does not require a doctorate
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, i.e., a title that can be carried by a human agent in association with the name
postdoctoral title, i.e., an academic title that is usually only conferred on people with a doctorate
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, i.e., a status expressing that a communication has been read
sent status, i.e., a status expressing that a communication has been sent
signal i like, communicating that the author approves of the followed message
signal statement, i.e., a standardized shorthand reaction to another message
status, i.e., a label that expresses information on the submission, reading, or exchange process of a communication
task, i.e., a message that has an assignee
Technology Transfer Institute (TTI), cf. the EMMC Translation Case Template
titular rank, i.e., a personal title that is part of a hierarchy of titles
translation communication, i.e., a communication which, as its main feature or purpose, relates to translation
validation communication, i.e., a communication which, as its main feature or purpose, relates to validation
virtual agent, i.e., any person that is not a human agent (this includes bots/engines, agent pseudonyms, etc.)
Assisted Model Building with Energy Refinement (AMBER) Force Field is a family of force fields. Not to be confused with the related software tool.
Angular three-body potential between particles within a molecule.
A potential defined between particles within a molecule. Sometimes called 'intra-molecular' potential.
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 smearing is sometimes used in combination with soft potentials (e.g., dpd potential) to avoid the divergence of the interaction energy of opposite charges.
Chemistry at Harvard Macromolecular Mechanics (CHARMM) Force Field is a family of force fields. Not to be confused with the related software tool.
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.
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).
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 four-body potential between particles within a molecule. It describes the interaction arising from torsional forces in molecules. Sometimes referred to as torsion potentials.
Potential to be used in Dissipative Particle Dynamics simulations.
DREIDING is a generic force field for molecular simulations.
Mayo, S. L., Olafson, B. D., and Goddard, W. A., 1990, J. Phys. Chem., 94, 8897
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.
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.
Called Interatomic Potential in the physics community.
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).
GROningen MOlecular Simulation (GROMOS) Force Field is a family of force fields. Not to be confused with the related software tool.
Improper dihedral four-body potential between particles within a molecule. It is used to restrict the geometry of a molecule.
An algorithm to integrate Newton second law.
A planar surface which affects interactions, for example a planar wall.
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.
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.
A surface which affects interactions, for example a wall. It is described as a continuum surface, not as a collection of sites.
The Martini force field is a coarse-grained (CG) force field suited for molecular dynamics simulations of biomolecular systems.
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.
Mie n-m potential. It includes the Lennard-Jones potential as a special case.
Gustav Mie,'Zur kinetischen Theorie der einatomigen Körper', Annalen der Physik 11 pp. 657-697 (1903).
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.
An algorithm for energy minimization/geometry optimization.
Type of object entering the model (e.g., rigid, flexible, or structureless objects).
Molecular Mechanics or Molecular Statics.
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, typically appearing in coarse-grained models. For example, random and drag forces in Dissipative Particle Dynamics, that together act as a thermostat.
Optimized Potentials for Liquid Simulations (OPLS) is a family of force fields. It contains both All-Atomistic (AA) and United-Atom (UA) force fields.
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.
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.'.
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).
A planar wall (i.e, a boundary surface). It is described as a continuum, not as a collection of sites.
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: A Reactive Force Field for Hydrocarbons.
van Duin, ACT; Dasgupta, S; Lorant, F; Goddard, WA, 'ReaxFF: A Reactive Force Field for Hydrocarbons.', J. Phys. Chem. A 105, 9396-9409 (2001)
A potential for the interaction between a site and a surface (e.g., between a particle and a wall).
Bonding two-body potential between particles within a molecule. It is a function of the inter-particle distance.
Transferable Potentials for Phase Equilibria.
The Universal Force Field (UFF) is a full periodic-table force field.
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).
A site that, together with others, forms a boundary wall. Such sites are typically frozen (i.e., their positions are fixed in time).
A cell, i.e., an elementary volume element
Boundary condition where the value of a quantity is set on the specified boundary.
Schemes for discretization of the divergence of quantities.
A face of a cell, i.e., an elementary surface element
An equation of state (EOS) referring to a free energy (e.g., Helmhotz free energy) is denoted as a fundamental EOS.
Schemes for discretization of the gradient of quantities.
A surface which affects interactions, for example a wall. It is described as a continuum surface, not in terms of elementary faces.
See also the interaction_surface class in VISO-AM
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.
Type of object entering the model (e.g., a fluid or an interaction surface).
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.
Schemes for discretization of quantities in space.
Schemes for discretization of quantities in time.
An equation of state (EOS) involving pressure, density, temperature, composition is denoted as a thermal EOS.
basis set expansion of electronic states
Electronic Structure R. M. Martin 2004 Cambridge University Press
A classical object, i.e., an object described at a classical mechanics level.
For example, an object representing an atomic nucleus.
See also the model_object class in VISO-AM
Algorithm that diagonalizes Kohn-Sham Hamiltonian
Algorithm for mixing the electron densities during SCF
Algorithm for the smearing of electronic populations
Modern Quantum Chemistry A. Szabo, N. S. Ostlund 1996 Dover books on Chemistry
Model features the constitute the construction of the electronic Hamiltonian
Algorithm for optimisation of the nuclear coordinates
Algorithm for the generation of the kpoint grid
Essentials of Computational Chemistry, 2nd Ed. C. J. Cramer 2004 John Wiley & Sons.
Type of object entering the model (e.g., quantum or classical).
A quantum object, i.e., an object described at a quantum mechanics level (for example, via a wavefunction).
For example, an object representing an electronic cloud.
Computation strategy based on system symmetries
Model features that relate to the electronic wavefunction
An entity (individual, group, institution) that can potentially act on a virtual marketplace.
A classifier (e.g., the granularity level) that is relevant for materials modelling software
A tool that changes the data without altering the physical state itself (e.g., it changes the numerical representation of a state, cf. RoMM).
interface for data, can be file-based or stream-based
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).
Regulation of the right to use, modify and distribute something, in this case software.
Software license, as characterized in the Software Ontology (SWO)
License clause, as characterized in the Software Ontology (SWO)
Capability of a software tool, intended as a model aspect that can be addressed. ('model' intended as in MODA).
E.g., composite or structureless, rigid or flexible, classical or quantum objects.
Type of object entering the model and carrying the degrees of freedom.
High level concept related to modelling, as statistical mechanics, the RoMM model types, fundamental physics equation, etc.
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).
A tool that helps in setting up a simulation (e.g., to generate the initial configuration).
A language that can be used to write software.
A tool that solves the governing equations.
A computer program. Can be a software tool, a compiler (lower level, closer to the hardware) or an operating system.
Interface between a software and a user or a client (i.e., a program or device)
Some sub-classes of this class are taken from the SWO software interface class (swo:SWO_9000050)
Allows to describe the addition/removal of features between versions of a software tool.
To describe (as text) the changes between versions of a software.
An aspect of the numerical method used to solve the governing equations.
Capability of a software tool, intended as a numerical aspect or an algorithm which is implemented. ('solver' intended as in MODA)
A tool to read and visualize data (with no changes or additions to the data, cf. RoMM).
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, i.e., statement on an uncertainty, error, or deviation from the most accurate possible value
assertion, i.e., a claim or proposition (e.g., stated within an assessment)
certificate, i.e., a validation statement by which an assessment is stated
material property information, i.e., an assertion referring to a (thermodynamic or mechanical) material property
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, i.e., a review assessment by which a replacement for the entity under review is recommended
validation infrastructure, i.e., an infrastructure which, as its main feature or purpose, relates to validation
validation statement, i.e., a statement which, as its main feature or purpose, relates to validation
A field is a function defining the values taken by a variable across space (i.e., as a function of position).
Fields are mostly used in continuum descriptions, but also in others (e.g., in the post-processing of atomistic-mesoscopic descriptions).
A relation between two or more variables (e.g., the radial distribution function, the energy density of states).
It can be defined via a mathematical equation or via tabulated values.
The position of an object with respect to another one.
The velocity of an object with respect to another one.
A variable that is a scalar (with respect to real space).
Whatever the spatial dimension of a system is, it is specified by just one element.
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.
A variable that is a tensor (with respect to real space).
In a system of spatial dimension N, it is specified by NxN elements.
a variable in the mathematical sense, i.e. a symbol that stands for a quantity in a mathematical expression
A variable that is a vector (with respect to real space).
In a system of spatial dimension N, it is specified by N elements.
A versor, i.e., a unit vector; it indicates a direction in real space.
It can be univocally specified by two elements.
the factual realization (scenario, possible world, or environment that is there in reality)
Large
Small
granularity level label: atomistic materials modelling
granularity level label: continuum materials modelling
granularity level label: electronic materials modelling
PE_TYPE_A.1
PE_TYPE_A.2
PE_TYPE_A.3
PE_TYPE_A.4
PE_TYPE_A.5
PE_TYPE_A.6
PE_TYPE_CO.1
PE_TYPE_CO.2
PE_TYPE_CO.3
PE_TYPE_CO.4
PE_TYPE_CO.5
PE_TYPE_CO.6
PE_TYPE_CO.7
PE_TYPE_CO.8
PE_TYPE_EL.1
PE_TYPE_EL.2
PE_TYPE_EL.3
PE_TYPE_EL.4
PE_TYPE_EL.5
PE_TYPE_M.1
PE_TYPE_M.2
PE_TYPE_M.3
PE_TYPE_M.4
PE_TYPE_M.5
PE_TYPE_M.6
granularity level label: mesoscopic materials modelling
trajectory analyser, i.e., a postprocessor that analyses simulation trajectory output
Expert
an unspecified learning operator at the expert level
Basic
Intermediate
Advanced
an unspecified learning operator at the basic level, as categorized by the KMK document
assign the specific terms to a given structure
give the main features or general principles in a structured way
give names/terms or other brief answers, leaving out the explanation
write down procedures, observations and results (or discussions and conclusions), if applicable, following scientific conventions
clearly lay out facts/structures/results by means of a graph/diagram/table or similar
create an exact graphical representation
an unspecified learning operator at intermediate level, as categorized by the KMK document
give a criteria-based account of similarities and differences between phenomena, objects, or processes
reach a conclusion from the information given
find an approximate and reasonable value for an unknown quantity
investigate phenomena, data, etc., systematically considering and representing parts or features and relationships or connections
use a known idea, equation, principle, theory, or law in a new situation
insert the corresponding values into an equation and generate the result
give a detailed and structured description of something using the appropriate terminology
generate a result from data given (graphically or numerically)
give a detailed account of causes, reasons, or mechanisms to illuminate structures, processes, and relationships
represent processes and facts verbally or symbolically
manipulate mathematical relationships to obtain a new equation or relationship, commenting the main steps on the way
arrange systematically, in proper order or appropriately grouped, based on existing principles or according to certain features
check facts and interrelations for quality, performance, and/or reliability
research a subject to discover information and facts
an unspecified learning operator at the advanced level, as categorized by the KMK document
suggest or construct a clearly focused and justified assumption
process data and results, deduce a relationship between variables, make general statements, and assess implications
relate pheonomena to underlying rules, (physical) laws, and causal relationships
judge something on the basis of scientific criteria or methods
show something by means of factual argumentation and logical reasoning
investigate or examine by argument, give and weigh arguments for and against something
find explanations for phenomena/data to reach conclusions
come up with a design for an experiment or a structured approach to investigate a problem
Topic: Basic prerequisites in chemical and process engineering, biotechnology, petrochemistry, and organic chemistry
Topic: Foundations in biotechnology and nutritional chemistry
Topic: Foundations in fluid process engineering
Topic: Foundations in industrial and applied chemistry and chemical reaction technology
Topic: Foundations in petrochemical engineering
Topic: Foundations in thermal and general process engineering
Topic: Foundations in mechanical process engineering and particle technology
Topic: Foundations in chemical engineering thermodynamics
Topic: Basic prerequisites in economics, marketing, and business administration
Topic: Basic prerequisites in information technology, computer science, and progamming
Topic: Foundations in data analysis/data science
Topic: Foundations in data technology and/or (research) data management
Topic: Basic prerequisites in materials science and general or inorganic chemistry
Topic: Basic prerequisites in mathematics, statistics, and logic
Topic: Basic prerequisites in mechanical, aerospace, civil, electrical, and general engineering
Topic: Basic prerequisites in physics and theoretical or physical chemistry
Topic: Foundations in solid-state physics
Topic: Foundations in statistical mechanics and/or statistical physics
Topic: Interdisciplinary basic prerequisites
Topic: Secondary or pre-undergraduate level education and general basic knowledge
Topic: Computational or numerical (beyond basic prerequisites)
Topic: Computational aspects of electronic modelling
Topic: Computational aspects of physical equation EL.1
Topic: Computational aspects of physical equation EL.2
Topic: Density matrix renormalization group (DMRG) method
Topic: Computational aspects of physical equation EL.3
Topic: Computational aspects of physical equation EL.4
Topic: Computational aspects of physical equation EL.5
Topic: Computational aspects of discrete (atomistic and mesoscopic) modelling
Topic: Computational aspects of physical equations A.1/M.1
Topic: Computational aspects of physical equation A.1 specifically
Topic: Computational aspects of physical equation M.1 specifically
Topic: Computational aspects of physical equations A.2/M.2
Topic: Computational aspects of physical equation A.2 specifically
Topic: Computational aspects of physical equation M.2 specifically
Topic: Computational aspects of physical equations A.3/M.3
Topic: Computational aspects of physical equation A.3 specifically
Topic: Computational aspects of physical equation M.3 specifically
Topic: Computational aspects of physical equations A.4/M.4
Topic: Computational aspects of physical equation A.4 specifically
Topic: Computational aspects of physical equation M.4 specifically
Topic: Computational aspects of physical equations A.5/M.5
Topic: Computational aspects of physical equation A.5 specifically
Topic: Computational aspects of physical equation M.5 specifically
Topic: Computational aspects of physical equations A.6/M.6
Topic: Computational aspects of physical equation A.6 specifically
Topic: Computational aspects of physical equation M.6 specifically
Topic: Computational aspects of (non-electronic, classical-mechanical) continuum modelling
Topic: Computational aspects of physical equation CO.1
Topic: Computational aspects of physical equation CO.2
Topic: Computational aspects of physical equation CO.3
Topic: Computational aspects of physical equation CO.4
Topic: Computational aspects of physical equation CO.5
Topic: Computational aspects of physical equation CO.6
Topic: Computational aspects of physical equation CO.7
Topic: Computational aspects of physical equation CO.8
Topic: Computational aspects of non-equilibrium states and physical processes
Topic: Rare-event simulation by biased/forced dynamics (metadynamics, methods based on Jarzynski's theorem, etc.)
Topic: Rare-event simulation by biased stochastic sampling (umbrella sampling, Wang-Landau sampling, etc.)
Topic: Rare-event simulation by replica-exchange methods
Topic: Rare-event simulation by statistics over trajectories, e.g., path-sampling based methods (FFS, TIS, TPS, etc.)
Topic: Computational aspects of interfacial phenomena and multiphase or heterogeneous systems
Topic: Computational aspects of statistical mechanics and statistical approaches to materials modelling
Topic: Computational aspects of phenomenological thermodynamics
Topic: Computational aspects of classical and/or quantum mechanics
Topic: Data science and technology (beyond basic prerequisites)
Topic: Materials (beyond basic prerequisites)
Topic: Materials science and engineering (combining multiple or all fields)
Topic: Organic chemistry and related materials science and engineering
Topic: Low-temperature materials science and engineering
Topic: Unstable, metastable, and transition states of materials
Topic: Specific phenomena in materials science and engineering
Topic: Social, economic, community (beyond basic prerequisites)
Topic: Industrial production/manufacturing
Topic: Production/manufacturing in the chemical industry (including polymers, excluding the petrochemical industry)
Topic: Production/manufacturing in the petrochemical industry
Topic: Production/manufacturing in transportation-related industries (e.g., automotive, aerospace, and railway related manufacturing)
Topic: Production/manufacturing in the aerospace sector
Topic: Production/manufacturing in the automotive sector
Topic: Production/manufacturing in the railway sector
Topic: Production/manufacturing in biotechnology (excluding pharmaceutical applications)
Topic: Production/manufacturing in food-related industries (including beverages and tobacco)
Topic: Production/manufacturing in industries related to pharmaceutical and medical applications
Topic: Production/manufacturing of wood and paper based products (including printing)
Topic: Production/manufacturing of electrical products and equipment
Topic: Production/manufacturing of industrial machinery and equipment
Topic: Production/manufacturing of basic and fabricated metal
Topic: Specific aspects or fields of industrial production/manufacturing
Topic: Theoretical (beyond basic prerequisites; excluding computational and numerical aspects)
Topic: Theoretical aspects of electronic modelling
Topic: Theoretical aspects of physical equation EL.1
Topic: Theoretical aspects of physical equation EL.2
Topic: Many-body perturbation theory (MBPT)
Topic: Dynamical Mean Field Theory (DMFT)
Topic: High Temperature Density Functional Theory (HT-DFT)
Topic: Theoretical aspects of physical equation EL.3
Topic: Theoretical aspects of physical equation EL.4, i.e., non-equilibrium Green's functions (NEGF)
Topic: Theoretical aspects of physical equation EL.5
Topic: Theoretical aspects of discrete (atomistic and mesoscopic) modelling
Topic: Theoretical aspects of physical equations A.1/M.1
Topic: Theoretical aspects of physical equation A.1 specifically
Topic: Theoretical aspects of physical equation M.1 specifically
Topic: Theoretical aspects of physical equations A.2/M.2
Topic: Theoretical aspects of physical equation A.2 specifically
Topic: Theoretical aspects of physical equation M.2 specifically
Topic: Theoretical aspects of physical equations A.3/M.3
Topic: Theoretical aspects of physical equation A.3 specifically
Topic: Theoretical aspects of physical equation M.3 specifically
Topic: Theoretical aspects of physical equations A.4/M.4
Topic: Theoretical aspects of physical equation A.4 specifically
Topic: Theoretical aspects of physical equation M.4 specifically
Topic: Theoretical aspects of physical equations A.5/M.5
Topic: Theoretical aspects of physical equation A.5 specifically
Topic: Theoretical aspects of physical equation M.5 specifically
Topic: Theoretical aspects of (non-electronic, classical-mechanical) continuum modelling
Topic: Theoretical aspects of physical equation CO.1
Topic: Theoretical aspects of physical equation CO.2
Topic: Theoretical aspects of physical equation CO.3
Topic: Theoretical aspects of physical equation CO.4
Topic: Theoretical aspects of physical equation CO.5
Topic: Theoretical aspects of physical equation CO.6
Topic: Theoretical aspects of physical equation CO.7
Topic: Theoretical aspects of physical equation CO.8
Topic: Theoretical aspects of non-equilibrium states and physical processes
Topic: Theoretical aspects of interfacial phenomena and multiphase or heterogeneous systems
Topic: Theoretical aspects of statistical mechanics and statistical approaches to materials modelling
Topic: Theoretical aspects of phenomenological thermodynamics
Topic: Theoretical aspects of classical and/or quantum mechanics
Topic: Interdisciplinary (beyond basic prerequisites)
Topic: Interdisciplinary studies with significant computational and data-science aspects
Topic: Interdisciplinary studies with significant computational and material-property aspects
Topic: Interdisciplinary studies with significant computational and socio-economic aspects
Topic: Interdisciplinary studies with significant computational and theoretical aspects
Topic: Interdisciplinary studies with significant computational and side-interest aspects
Topic: Interdisciplinary studies with significant data-science and material-property aspects
Topic: Bioinformatics applied to genomics/genome analysis
Topic: Interdisciplinary studies with significant data-science and socio-economic aspects
Topic: Interdisciplinary studies with significant data-science and theoretical aspects
Topic: Interdisciplinary studies with significant data-science and side-interest aspects
Topic: Interdisciplinary studies with significant material-property and socio-economic aspects
Topic: Interdisciplinary studies with significant material-property and theoretical aspects
Topic: Interdisciplinary studies with significant material-property and side-interest aspects
Topic: Interdisciplinary studies with significant socio-economic and theoretical aspects
Topic: Interdisciplinary studies with significant socio-economic and side-interest aspects
Topic: Interdisciplinary studies with significant theoretical and side-interest aspects
Any level
Andersen, H. C. Molecular dynamics simulations at constant pressure and/or temperature. J. Chem. Phys. 72:2384, 1980
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, 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
Broyden-Fletcher-Goldfarb-Shanno (BFGS) method.
W. H. Press et al, Numerical recipes: The art of scientific computing, 3rd edition, Cambridge University Press, 2007.
When a particle tries to cross such wall, all its velocity components are reversed.
M. Revenga, I. Zúñiga, P. Español and I. Pagonabarraga. Boundary Models in DPD. Int. J. Mod. Phys. C 9, 1319 (1998).
Electrostatic potential between a point charge and a point dipole.
Electrostatic potential between a point charge and a point charge quadrupole.
Electrostatic potential between point charges.
Electrostatic potential between point charge dipoles.
Electrostatic potential between a point charge dipole and a point charge quadrupole.
Version of Velocity-Verlet integrator adapted to the DPD thermostat.
Standard Ewald summation method for electrostatics of point-like charges.
Ewald summation method for electrostatics modified to treat smeared charges.
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, M. W., and Sinclair, J. E., A simple empirical N-body potential for transition metals. Philos. Mag. A, 50, 45 (1984).
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.
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 allows to simulate a shear flow.
A. W. Lees and S. F. Edwards. The computer study of transport processes under extreme conditions. J. Phys, C 5, 1921 (1972).
D. Berthelot, “Sur le mélange des gaz,” Comptes Rendus Hebdomadaires des Séances de l'Académie des Sciences, vol. 126, pp. 1703–1855, 1898.
Lorentz, H. A. (1881), Ueber die Anwendung des Satzes vom Virial in der kinetischen Theorie der Gase. Ann. Phys., 248: 127-136.
C. P. Lowe. An alternative approach to dissipative particle dynamics. EPL (Europhysics Letters), 47(2):145–151, July 1999.
Density-dependent pair-wise potential for Dissipative Particle Dynamics.
I. Pagonabarraga and D. Frenkel. Dissipative particle dynamics for interacting systems. Journal of Chemical Physics, 115(11):5015–5026, 2001.
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).
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, 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
Particle-particle particle-mesh summation method for electrostatics.
M. Parrinello and A. Rahman, J. Appl. Phys. https://doi.org/10.1063/1.328693 52, 7182 (1981).
E. A. J. F. Peters. Elimination of time step effects in DPD. EPL (Europhysics Letters), 66(3):311–317, May 2004.
We indicate as Phase-Space Sampling equation any equation that allows to generate configurations (i.e., microstates) according to a given ensemble (macrostate).
Electrostatic potential between point charge quadrupoles.
When a particle tries to cross such wall, its velocity component perperdicular to the wall is reversed.
P. B. Warren, P. Prinsen and M. A. J. Michels. The physics of surfactant dissolution. Phil. Trans. R. Soc Lond. A 361, 665 (2003).
This soft repulsive potential can be used to decrease density oscillations near the wall.
Smooth Particle Mesh Ewald summation method for electrostatics. Applies to periodic systems.
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 or gradient descent, not the be confused with the method to approximately compute integrals.
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.
G. M. Torrie and J. P. Valleau. Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling. J. Comput. Phys. 23, 187 (1977).
Bussi, G., Donadio, D., Parrinello, M. Canonical sampling through velocity rescaling. J. Chem. Phys. 126:014101, 2007.
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 equation (i.e.: drift-diffusion equation) for transport of a mass scalar quantity (e.g. concentration).
Transient, second order implicit, potentially unbounded.
Second-order central discretization scheme.
Transient, second order implicit, bounded.
Einstein equation for molecular diffusion of spherical particles.
Transient, first order, implicit, bounded.
First order upwind discretization scheme.
Navier-Stokes transport equation for momentum.
Second-order upwind discretization scheme.
Defines a mirror boundary (the solution is mirrored along that boundary).
Broyden–Fletcher–Goldfarb–Shanno (BFGS) algorithm
Numerical Recipes 3rd Edition: The Art of Scientific Computing 2007 Cambridge University Press
Recognises and exploits bravais lattice point groups
Corresponding to so-called all-electron calculations
Sample reciprocal space only at the Gamma point
(typically user defined) kpoint path along high symmetry line
Recognises and exploits common molecular point groups
No symmetry adapted solution available or it is possible to disactivate symmetry routines
CMake
C++
Cuda
C_language
Fortran
Fortran2003
Fortran90
Fortran95
licence
Creative_Commons
Proprietary_commercial_software_license
MPL_v1.1
GNU_GPL
Apache_License_Version_2.0
Academic_Free_License_version_3
FreeBSD
Open_source_software_license
License without restrictions on derivatives
License_without_restrictions_on_derivatives
GNU_Project_Free_License_Type
GNU_GPL_Compatible_License_Type
GNU_GPL_v3
GNU_GPL_v2
CC_BY_2.0
CC_BY-SA_2.0
LPPL_v1.3c
LPPL_v1.2
MPL_v2.0
Artistic_License
Artistic_License_2.0
free_to_use_license
CC_BY_4.0
CC_BY_2.0_UK
GNU_LGPL_v3
GNU_AGPL
GNU_AGPL_v3
GNU_LGPL_v2.1
CC_BY_2.1_JP
CC_BY_2.5
CC_BY_3.0_AU
CC_BY_3.0
CC_BY_3.0_US
CC_BY-ND_3.0
CC_BY-ND_4.0
CC_BY-NC_3.0
CC_BY-NC_4.0
CC_BY-NC-ND_3.0
CC_BY-NC-ND_2.5
CC_BY-NC-ND_2.5_CH
CC_BY-NC-ND_4.0
CC_BY-NC-SA_2.5
CC_BY-NC-SA_3.0
CC_BY-NC-SA_3.0_US
CC_BY-NC-SA_2.5_IN
CC_BY-NC-SA_4.0
CC_BY-SA_2.1_JP
CC_BY-SA_3.0
CC_BY-SA_3.0_US
CC_BY-SA_4.0
Open_Data_Commons
ODbL_v1.0
DbCL_v1.0
ODC-By_v1.0
PDDL_v1.0
Vendor-specific_License
Fee-Based_Commercial_License
Non-Commercial_No-Fee_License
Design_Science_License
MIT_License
GNU_LGPL
Artistic_License_1.0
EPL_v1
Modified_BSD
LPPL
OPL_v1.0
MPL
MPI
OpenCL
OpenMP
OpenMPI
Python
Python_2.7
Python_3
Debye Angstrom, i.e., a quadrupole-moment unit, corresponding to 3.33564e-40 C m^2, also referred to as Buckingham
Kelvin x Boltzmann constant, i.e., an energy unit, corresponding to 1.38065e-23 J
Unit of mass corresponding to 1 g/mol, also referred to as Dalton
the mass density of each of the species in the system. If the density is not uniform, this variable represents its spatial average.
the number density of each of the species in the system. If the density is not uniform, this variable represents its spatial average.
It is typically 3, but can be 2 or 1 in some models.
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, i.e., the pressure that is imposed on the system via some constraint
target temperature, i.e., the temperature that is imposed on the system via some constraint
the total (not decomposed into species) mass density of the system. If the density is not uniform, this variable represents its spatial average.
the total (not decomposed into species) number density of the system. If the density is not uniform, this variable represents its spatial average.
calendar_event, i.e., a meeting or activity which is scheduled or can be scheduled, equivalent to Vevent (labelled Event) from ICALTZD
interpreter, i.e., an interpreter as defined by the EMMO
material, i.e., a material as characterized by the EMMO
model, i.e., a model as characterized by the EMMO
physical process, i.e., a process in the sense of the EMMO
property, i.e., a property as characterized by the EMMO
AtomisticModel, i.e., an atomistic PhysicsBasedModel following RoMM, MODA, and OSMO
Collection, i.e., an unconnected 4D object; a Collection has Items (connected components) as members
Composition, i.e., a Symbolic object composed of other Symbolic objects that are arranged in a specific spatial configuration
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, i.e., a continuum PhysicsBasedModel following RoMM, MODA, and OSMO
Conventional, i.e., a Sign that represents an Object by convention
DataBasedModel, i.e., an empirical data-driven MathematicalModel that is not based on a physical equation
EMMO entity, i.e., a 4D spatiotemporal thing
ElectronicModel, i.e., an electronic PhysicsBasedModel following RoMM, MODA, and OSMO
Engineered, i.e., a Physical object that has been manufactured for a particular purpose
Equation, i.e., a formula of the type 'f(...) = g(...)' where f and g are functions of Variables
Experiment, i.e., an Observation that is conducted with the intention of replicating a PhysicalPhenomenon in a controlled environment
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, i.e., a writing, drawing, painting, or similar
Icon, i.e., a Sign that represents an Object by similarity
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)
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, 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, i.e., a Semiotic Participant that actively creates the connection between the Sign, the Object, and the Interpretant in a Semiosis Process
Item, i.e., a connected component - between any two parts there is a path of connections
Language, i.e., a formal language, defined by syntactic rules
Material, i.e., a Physical object that is part of 'a more comprehensive real-world object'
MaterialRelation, i.e., a materials relation (MR) as defined by RoMM, MODA, and OSMO
Mathematical, i.e., a WellFormedSymbolic term (word) that respects the rules of mathematical syntax
class defined by intersection of Model and Mathematical
Measurement, i.e., an Observation by which a Property of an Object is determined by comparison to a standard reference
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, i.e., a mesoscopic PhysicsBasedModel following RoMM, MODA, and OSMO
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
n.b., a Number is defined to be a Symbol (rather than just a Symbolic)
Numerical, i.e., either a scalar number or a composite numerical data structure
Object, i.e., a Semiotic Participant to which the Interpreter refers, using a Sign
ObjectiveProperty, i.e., a Property that is determined by a well-defined Observation procedure through a specific perception channel
Observation, i.e., a Semiosis Process by which an Observer determines a Property of an Object
Observer, i.e., an Interpreter that observes an Object through a specific perception mechanism to determine a Property by Observation
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, i.e., a Physical entity that participates (with a specific role) in a Process
Perceptual, i.e., a Physical entity that is 'recognizable by an Interpreter'
Physical, i.e., an Item that is not Void
PhysicalPhenomenon, i.e., a Process that 'for the ontologist' carries a meaning related to physics
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, 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, i.e., a Physical entity with a temporal evolution that 'has a meaning for the ontologist'
Property, i.e., a Conventional (Sign) that participates in an Observation Process
QuantitativeProperty, i.e., an ObjectiveProperty that can be quantified with respect to a standardized reference physical instance or method
Semiosis, i.e., a Process that constitutes meaning by participation of an Interpreter, a Sign, and an Object
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, i.e., a Semiotic Participant that represents (signifies) an Object within a Semiosis Process
String, i.e., a (linear) sequence of Symbols
SubjectiveProperty, i.e., a Property that is not an ObjectiveProperty - it is not determined by a well-defined Observation procedure
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, i.e., a graphical combination or arrangement ultimately based on 'tokens' (presumably, 'token' here means Symbol)
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, 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, 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)
Void, i.e., an Item that does not have any Physical parts (all of its parts are Void)
WellFormedSymbolic, i.e., a Symbolic that respects the syntactic rules of a formal language
4D spatiotemporal relation of immediate connectivity or contact
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)
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'
signification of an Object by a Conventional Sign (i.e., according to convention)
signification of an Object by an Icon (i.e., a Sign that resembles the Object)
signification of an Object by an Index (i.e., a Sign that indicates the Object due to causal contiguity)
connects an Object to the internal representation (Interpretant) given to it by an Interpreter
hasMember relates an unconnected object (Collection) to its connected components (Items)
connects an Object to a Model that represents it
4D spatiotemporal parthood relation (reflexive version, i.e., improper parthood)
participation, i.e., (improper) parthood that relates to participation with a specific role in a Process
4D spatiotemporal parthood relation (antireflexive version, i.e., proper parthood)
participation, i.e., (proper) parthood that relates to participation with a specific role in a Process
signification, connecting a referenced entity to a sign that represents it by semiosis
proper parthood where the spatial extensions differ, while the temporal extensions are the same
proper parthood where both the spatial _and_ temporal extensions differ
proper parthood where the temporal extensions differ, while the spatial extensions are the same
relates a Mathematical object to a Variable that represents it
this class contains EMMO entities as well as non-spacetime entities that are not covered by the EMMO
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.
binary file format, i.e., any file format not encoded in ASCII, Unicode, or comparable
file format, i.e., a syntactical standard for files
CSV format, i.e., comma-separated values (table-like)
textual file format, i.e., any file format encoded in ASCII, Unicode, or comparable
logical array, i.e., a unique structure with indexed elements (n.b., for indexing, use has_variable_index, starting from 0)
logical variable, i.e., a term that can be exchanged by interaction with logical resources
materials relation (MR) as defined by RoMM, cf. MODA subsection 2.4
RoMM model vocabulary category 2.1, OSMO PE type A.1
RoMM model vocabulary category 2.3, OSMO PE type A.3
RoMM model vocabulary category 2.2, OSMO PE type A.2
RoMM model vocabulary category 2.4, OSMO PE type A.4
RoMM model vocabulary category 2.5, OSMO PE type A.5
RoMM model vocabulary categories 2.6 and 2.7, OSMO PE type A.6
RoMM model vocabulary category 4.6, OSMO PE type CO.7
RoMM model vocabulary category 4.2, OSMO PE type CO.2
RoMM model vocabulary category 4.3, OSMO PE type CO.3
RoMM model vocabulary category 4.4.2, OSMO PE type CO.4
RoMM model vocabulary category 4.7, OSMO PE type CO.8
RoMM model vocabulary category 4.5, OSMO PE type CO.6
RoMM model vocabulary category 4.1, OSMO PE type CO.1
RoMM model vocabulary category 4.4.1, OSMO PE type CO.5
RoMM model vocabulary category 1.4, OSMO PE type EL.4
RoMM model vocabulary category 1.2, OSMO PE type EL.2
RoMM model vocabulary category 1.1, OSMO PE type EL.1
RoMM model vocabulary category 1.5, OSMO PE type EL.5
RoMM model vocabulary category 1.3, OSMO PE type EL.3
RoMM model vocabulary category 3.1, OSMO PE type M.1
RoMM model vocabulary category 3.4, OSMO PE type M.5
RoMM model vocabulary category 3.2, OSMO PE type M.3
RoMM model vocabulary category 3.3, OSMO PE type M.4
RoMM model vocabulary categories 3.5, OSMO PE type M.6
citation as defined by IAO; n.b., OTRAS adds some properties to this beyond what is specified by the IAO
a learning outcome (i.e., competency), same as LearningOutcome from CCSO, further characterized by OTRAS
computational aspects of physical equations A.1/M.1 (code 322X)
computational aspects of physical equations A.2/M.2 (code 323X)
computational aspects of physical equations A.3/M.3 (code 324X)
computational aspects of physical equations A.4/M.4 (code 325X)
computational aspects of physical equations A.5/M.5 (code 326X)
computational aspects of physical equations A.6/M.6 (code 327X)
computational aspects of physical equation CO.1 (code 332X)
computational aspects of physical equation CO.2 (code 333X)
computational aspects of physical equation CO.3 (code 334X)
computational aspects of physical equation CO.4 (code 335X)
computational aspects of physical equation CO.5 (code 336X)
computational aspects of physical equation CO.6 (code 337X)
computational aspects of physical equation CO.7 (code 338X)
computational aspects of physical equation CO.8 (code 339X)
computational aspects of physical equation EL.1 (code 312X)
computational aspects of physical equation EL.2 (code 313X)
computational aspects of physical equation EL.3 (code 314X)
computational aspects of physical equation EL.4 (code 315X)
computational aspects of physical equation EL.5 (code 316X)
theoretical aspects of physical equations A.1/M.1 (code 722X)
theoretical aspects of physical equations A.2/M.2 (code 723X)
theoretical aspects of physical equations A.3/M.3 (code 724X)
theoretical aspects of physical equations A.4/M.4 (code 725X)
theoretical aspects of physical equations A.5/M.5 (code 726X)
theoretical aspects of physical equations A.6/M.6 (code 727X)
theoretical aspects of physical equation CO.1 (code 732X)
theoretical aspects of physical equation CO.2 (code 733X)
theoretical aspects of physical equation CO.3 (code 734X)
theoretical aspects of physical equation CO.4 (code 735X)
theoretical aspects of physical equation CO.5 (code 736X)
theoretical aspects of physical equation CO.6 (code 737X)
theoretical aspects of physical equation CO.7 (code 738X)
theoretical aspects of physical equation CO.8 (code 739X)
theoretical aspects of physical equation EL.1 (code 712X)
theoretical aspects of physical equation EL.2 (code 713X)
theoretical aspects of physical equation EL.3 (code 714X)
theoretical aspects of physical equation EL.4 (code 715X)
theoretical aspects of physical equation EL.5 (code 716X)
scientific publication, i.e., a publication about an investigation, as defined by the IAO
a training event is a (potential) virtual marketplace calendar event at which training activities occur, same as Event from CCSO
country code defined following ISO 3166 as implemented by the LCR ontology
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