Ontologies
ASMO

Atomistic Simulation Methods Ontology (ASMO) (ASMO)

OWL
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Last submission date April 16, 2026
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Classes ASMO
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http://www.w3.org/2002/07/owl#Class

Energy Calculation

IRI
Preferred name

Energy Calculation
Type http://www.w3.org/2002/07/owl#Class
Status Active
Ontology ASMO
Definition
This activity does not specify the way the energy is calculated, it can be used to refer to a rigid calculation or also to energy minimization or optimization. See RelaxationDOF class for specifics about the constraints. Energy calculation is an activity where the energy of the system is computed within the given optimization constraints.
ID http://purls.helmholtz-metadaten.de/asmo/EnergyCalculation
http://purls.helmholtz-metadaten.de/asmo/EnergyCalculation
https://dev.matportal.org/ontologies/ASMO/EnergyCalculation
Preferred name

Energy Calculation
Definitions
This activity does not specify the way the energy is calculated, it can be used to refer to a rigid calculation or also to energy minimization or optimization. See RelaxationDOF class for specifics about the constraints. Energy calculation is an activity where the energy of the system is computed within the given optimization constraints.

Raw data

rdfs:comment
This activity does not specify the way the energy is calculated, it can be used to refer to a rigid calculation or also to energy minimization or optimization. See RelaxationDOF class for specifics about the constraints.
rdf:type
rdfs:subClassOf
rdfs:label
Energy Calculation
obo_purl:IAO_0000115
Energy calculation is an activity where the energy of the system is computed within the given optimization constraints.
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