@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix dcterms: <http://purl.org/dc/terms/> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix matsci: <https://w3id.org/matsci-sam/metadata#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft> a skos:Concept ;
  skos:inScheme <https://w3id.org/matsci-sam/vocabulary/id4> ;
  skos:prefLabel "density functional theory (dft)"@en ;
  matsci:canonicalDefinition <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2> ;
  skos:definition <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/1/revisions/1> ;
  skos:definition <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2/revisions/1> ;
  skos:definition <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/3/revisions/1> ;
  dcterms:contributor "Colton Gerber" ;
  dcterms:contributor "gemma3" ;
  dcterms:contributor "Christopher Rauch" ;
  dcterms:created "2025-09-04"^^xsd:date .

<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/1> a matsci:Definition ;
  dcterms:isPartOf <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft> ;
  matsci:definitionNumber "1"^^xsd:positiveInteger ;
  matsci:currentRevision <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/1/revisions/1> ;
  dcterms:hasVersion <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/1/revisions/1> ;
  dcterms:created "2025-09-04T15:29:45.626Z"^^xsd:dateTime .

<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/1/revisions/1> a matsci:DefinitionRevision ;
  rdf:value "A computational method used to simulate materials (or molecules) on an atomic scale. A charge density is guessed, then updated until it is no longer changing. The results include energy and per-atom forces and can be post-processed to calculate elastic properties, band structures, and more."@en ;
  skos:example "DFT was used to calculate the electronic band structure of silicon."@en ;
  dcterms:isVersionOf <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/1> ;
  prov:specializationOf <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/1> ;
  dcterms:creator "Colton Gerber" ;
  matsci:version "1"^^xsd:positiveInteger ;
  matsci:status "proposed" ;
  dcterms:created "2025-09-04T15:29:45.626Z"^^xsd:dateTime .

<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2> a matsci:Definition ;
  dcterms:isPartOf <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft> ;
  matsci:definitionNumber "2"^^xsd:positiveInteger ;
  matsci:currentRevision <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2/revisions/1> ;
  dcterms:hasVersion <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2/revisions/1> ;
  dcterms:created "2025-09-04T15:29:55.362Z"^^xsd:dateTime .

<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2/revisions/1> a matsci:DefinitionRevision ;
  rdf:value "Density functional theory (DFT) is a computational method that utilizes electron charge densities to approximate the ground-state electronic structure and properties of materials, bypassing the explicit solution of the many-body Schrödinger equation."@en ;
  skos:example "DFT was used to predict the magnetic properties of nickel, based on the arrangement and behavior of its electron density."@en ;
  dcterms:isVersionOf <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2> ;
  prov:specializationOf <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2> ;
  dcterms:creator "gemma3" ;
  matsci:version "1"^^xsd:positiveInteger ;
  matsci:status "community-reviewed" ;
  dcterms:created "2025-09-04T15:29:55.362Z"^^xsd:dateTime .

<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/3> a matsci:Definition ;
  dcterms:isPartOf <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft> ;
  matsci:definitionNumber "3"^^xsd:positiveInteger ;
  matsci:currentRevision <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/3/revisions/1> ;
  dcterms:hasVersion <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/3/revisions/1> ;
  dcterms:created "2026-09-08T19:09:22.469Z"^^xsd:dateTime .

<https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/3/revisions/1> a matsci:DefinitionRevision ;
  rdf:value "Density functional theory (DFT) is a computational modeling method that uses electron density as the fundamental variable to approximate the ground-state electronic structure of many-body systems, replacing the complex many-electron wavefunction with a functional of the density to simplify the solution of the Schrödinger equation."@en ;
  dcterms:isVersionOf <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/3> ;
  prov:specializationOf <https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/3> ;
  dcterms:creator "Christopher Rauch" ;
  matsci:version "1"^^xsd:positiveInteger ;
  matsci:status "proposed" ;
  dcterms:created "2026-09-08T19:09:22.469Z"^^xsd:dateTime .