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

License
http://creativecommons.org/licenses/by/3.0/
Version Info

3.0

Prior Version
https://purls.helmholtz-metadaten.de/prima/computational?version=2.0
Preferred Namespace Prefix

PRIMA

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

Figure 1: 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
Equivalentclass pmd:PMD_0000933
Restriction

Laboratory c

IRI https://purls.helmholtz-metadaten.de/prima/experiment#Laboratory

Raw Data c

IRI https://purls.helmholtz-metadaten.de/prima/dataset#RawData

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
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 agent op

IRI http://purl.obolibrary.org/obo/RO_0002211

at location op

IRI http://www.w3.org/ns/prov#atLocation

has setting op

IRI https://purls.helmholtz-metadaten.de/prima/core#hasSetting

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 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

made by p y LODE 3.2.1 with the OntPub profile

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