PRIMA Ontology - Computational Workflow Module
Metadata
- IRI
-
https://purls.helmholtz-metadaten.de/prima/computational - Title
PRIMA Ontology - Computational Workflow Module
- Contributor
-
Ahmad Zainul Ihsan
Rossella Aversa
- Date Created
2026-01-15
- Version Info
3.0
- Description
This is the computational workflow module of the Provenance Information for Materials Science (PRIMA) Ontology, version 3.0, aligned with PMDco v3 and based on BFO (Basic Formal Ontology).
Overview
Classes
Calculation c
| IRI |
https://purls.helmholtz-metadaten.de/prima/computational#Calculation
|
|---|---|
| Is Defined By | https://purls.helmholtz-metadaten.de/skosmos/prima/calculation |
| Description | Computational Data Acquisition performed by one or more Research Users on a Model to process its input Settings into output calculated properties using a specific computational and/or theoretical Technique based on a theory accepted by the scientific community (e.g., Density Functional Theory, Conformal Field Theory). |
| Sub Class Of | |
| Restriction |
|
Model Preparation c
| IRI |
https://purls.helmholtz-metadaten.de/prima/computational#ModelPreparation
|
|---|---|
| Is Defined By | https://purls.helmholtz-metadaten.de/skosmos/prima/modelpreparation |
| Description | Set of actions carried out by one or more Research Users, possibly using Research Software, to define and/or formulate a Model making use of Research Data (typically, but not limited to, Reference Data after Data Processing) as input for parametrization, boundary conditions, or validation. A Model Preparation may require the use of Equipment. The output of Model Preparation is Model. |
| Sub Class Of | pmd:PMD_0000583 |
| Restriction |
|
Simulation c
| IRI |
https://purls.helmholtz-metadaten.de/prima/computational#Simulation
|
|---|---|
| Is Defined By | https://purls.helmholtz-metadaten.de/skosmos/prima/simulation |
| Description | Computational Data Acquisition performed by one or more Research Users on a Model to manipulate its Settings using a specific computational and/or theoretical Technique in order to study, predict, or optimize the behaviour and performance of existing or proposed features and properties of a physical System that would otherwise be too complex, too large/small, too fast/slow, too dangerous, inaccessible, or unacceptable to engage and/or control. Examples of Simulation are: multiscale simulation, finite-element simulation, molecular dynamics simulation, discrete dislocation dynamics simulation. |
| Sub Class Of | |
| Restriction |
|
Equipment c
| IRI |
https://purls.helmholtz-metadaten.de/prima/core#Equipment
|
|---|
Research Software c
| IRI |
https://purls.helmholtz-metadaten.de/prima/core#ResearchSoftware
|
|---|
Research User c
| IRI |
https://purls.helmholtz-metadaten.de/prima/core#ResearchUser
|
|---|
System c
| IRI |
https://purls.helmholtz-metadaten.de/prima/core#System
|
|---|---|
| Super Class Of | Model c |
Laboratory c
| IRI |
https://purls.helmholtz-metadaten.de/prima/experiment#Laboratory
|
|---|
Data Acquisition c
| IRI |
https://purls.helmholtz-metadaten.de/prima/core#DataAcquisition
|
|---|---|
| Super Class Of |
Technique c
| IRI |
https://purls.helmholtz-metadaten.de/prima/core#Technique
|
|---|
Raw Data c
| IRI |
https://purls.helmholtz-metadaten.de/prima/dataset#RawData
|
|---|
Research Data c
| IRI |
https://purls.helmholtz-metadaten.de/prima/core#ResearchData
|
|---|
Settings c
| IRI |
https://purls.helmholtz-metadaten.de/prima/core#Settings
|
|---|
Model c
| IRI |
https://purls.helmholtz-metadaten.de/prima/computational#Model
|
|---|---|
| Is Defined By | https://purls.helmholtz-metadaten.de/skosmos/prima/model |
| Description | Digital representation of a System, primary output of any kind of Model Preparation, aimed to be used in one or more Calculations or Simulations for its description or for predictions of its behaviour. A Model represents the System by direct similitude (e.g., small-scale replica) or by capturing in a logical framework the relations between its properties (e.g., mathematical Model). A Model typically consists of Settings which may be stored in one or more files. |
| Sub Class Of | core:System c |
| Restriction |
core:hasSetting
op
some
core:Settings
c
|
Object Properties
preceded by op
| IRI |
http://purl.obolibrary.org/obo/BFO_0000062
|
|---|
has data acquisition op
| IRI |
https://purls.helmholtz-metadaten.de/prima/core#hasDataAcquisition
|
|---|
hosts op
| IRI |
https://purls.helmholtz-metadaten.de/prima/experiment#hosts
|
|---|
precedes op
| IRI |
http://purl.obolibrary.org/obo/BFO_0000063
|
|---|
has participant op
| IRI |
http://purl.obolibrary.org/obo/RO_0000057
|
|---|
at location op
| IRI |
http://www.w3.org/ns/prov#atLocation
|
|---|
uses equipment op
| IRI |
https://purls.helmholtz-metadaten.de/prima/core#usesEquipment
|
|---|
uses research software op
| IRI |
https://purls.helmholtz-metadaten.de/prima/core#usesResearchSoftware
|
|---|
has technique op
| IRI |
https://purls.helmholtz-metadaten.de/prima/core#hasTechnique
|
|---|
has setting op
| IRI |
https://purls.helmholtz-metadaten.de/prima/core#hasSetting
|
|---|
has output op
| IRI |
http://purl.obolibrary.org/obo/RO_0002234
|
|---|
has input op
| IRI |
http://purl.obolibrary.org/obo/RO_0002233
|
|---|
Annotation Properties
contributor ap
| IRI |
http://purl.org/dc/terms/contributor
|
|---|
created ap
| IRI |
http://purl.org/dc/terms/created
|
|---|
license ap
| IRI |
http://purl.org/dc/terms/license
|
|---|
title ap
| IRI |
http://purl.org/dc/terms/title
|
|---|
preferred namespace prefix ap
| IRI |
http://purl.org/vocab/vann/preferredNamespacePrefix
|
|---|
exact match ap
| IRI |
http://www.w3.org/2004/02/skos/core#exactMatch
|
|---|
Mdmcnep Glossary Definition ap
| IRI |
https://purls.helmholtz-metadaten.de/prima/core#MDMCNEPGlossaryDefinition
|
|---|---|
| Sub Property Of | definition ap |
definition ap
| IRI |
http://www.w3.org/2004/02/skos/core#definition
|
|---|---|
| Super Property Of | core:MDMCNEPGlossaryDefinition ap |
Namespaces
- :
-
https://purls.helmholtz-metadaten.de/prima/computational# - bfo
-
http://purl.obolibrary.org/obo/BFO_ - core
-
https://purls.helmholtz-metadaten.de/prima/core# - dcterms
-
http://purl.org/dc/terms/ - ns1
-
https://purls.helmholtz-metadaten.de/prima/ - owl
-
http://www.w3.org/2002/07/owl# - pmd
-
https://w3id.org/pmd/co/ - prov
-
http://www.w3.org/ns/prov# - rdf
-
http://www.w3.org/1999/02/22-rdf-syntax-ns# - rdfs
-
http://www.w3.org/2000/01/rdf-schema# - ro
-
http://purl.obolibrary.org/obo/RO_ - skos
-
http://www.w3.org/2004/02/skos/core# - vann
-
http://purl.org/vocab/vann/
Legend
| c | Classes |
| op | Object Properties |
| ap | Annotation Properties |