Ontologies
MDO-FULL

Materials Design Ontology (MDO-FULL)

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

Density Functional Theory Method

IRI
Preferred name

Density Functional Theory Method
Type http://www.w3.org/2002/07/owl#Class
Status Active
Ontology MDO-FULL
Definition
A DFT method is a computational quantum mechanical modelling method used to investigate the electronic structure based on optimization of the energy over electronic densities.
ID https://w3id.org/mdo/calculation/DensityFunctionalTheoryMethod
https://w3id.org/mdo/calculation/DensityFunctionalTheoryMethod
https://dev.matportal.org/ontologies/MDO-FULL/DensityFunctionalTheoryMethod
Preferred name

Density Functional Theory Method
Definitions
A DFT method is a computational quantum mechanical modelling method used to investigate the electronic structure based on optimization of the energy over electronic densities.

Raw data

rdfs:comment
A DFT method is a computational quantum mechanical modelling method used to investigate the electronic structure based on optimization of the energy over electronic densities.
rdf:type
rdfs:subClassOf
rdfs:label
Density Functional Theory Method
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