January 12, 2026 Dataset Open Access

Vorberger, Jan; Smith, Gabriel J.; van Benschoten, William Z.; Petras, Hayley R.; Moldabekov, Zhandos; Dornheim, Tobias; Shepherd, James J.

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  <identifier identifierType="DOI">10.14278/rodare.4364</identifier>
  <creators>
    <creator>
      <creatorName>Vorberger, Jan</creatorName>
      <givenName>Jan</givenName>
      <familyName>Vorberger</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-5926-9192</nameIdentifier>
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    <creator>
      <creatorName>Smith, Gabriel J.</creatorName>
      <givenName>Gabriel J.</givenName>
      <familyName>Smith</familyName>
      <affiliation>Department of Chemistry, Michigan State University, 48824 East Lansing (MI), USA</affiliation>
    </creator>
    <creator>
      <creatorName>van Benschoten, William Z.</creatorName>
      <givenName>William Z.</givenName>
      <familyName>van Benschoten</familyName>
      <affiliation>Department of Chemistry, Michigan State University, 48824 East Lansing (MI), USA</affiliation>
    </creator>
    <creator>
      <creatorName>Petras, Hayley R.</creatorName>
      <givenName>Hayley R.</givenName>
      <familyName>Petras</familyName>
      <affiliation>Department of Chemisty, University of Iowa, 52242, Iowa City (IA), USA</affiliation>
    </creator>
    <creator>
      <creatorName>Moldabekov, Zhandos</creatorName>
      <givenName>Zhandos</givenName>
      <familyName>Moldabekov</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-9725-9208</nameIdentifier>
    </creator>
    <creator>
      <creatorName>Dornheim, Tobias</creatorName>
      <givenName>Tobias</givenName>
      <familyName>Dornheim</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-7293-6615</nameIdentifier>
    </creator>
    <creator>
      <creatorName>Shepherd, James J.</creatorName>
      <givenName>James J.</givenName>
      <familyName>Shepherd</familyName>
      <affiliation>Department of Chemistry, Michigan State University, 48824 East Lansing (MI), USA</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Data publication: Van-der-Waals exchange-correlation functionals and their high pressure and warm dense matter applications</title>
  </titles>
  <publisher>Rodare</publisher>
  <publicationYear>2026</publicationYear>
  <subjects>
    <subject>hydrogen</subject>
    <subject>liquid-liquid phase transition</subject>
    <subject>molecular</subject>
    <subject>metallic</subject>
    <subject>equation of state</subject>
    <subject>van der Waals</subject>
    <subject>structure</subject>
    <subject>density functional theory</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2026-01-12</date>
  </dates>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://rodare.hzdr.de/record/4364</alternateIdentifier>
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  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsIdenticalTo">https://www.hzdr.de/publications/Publ-42734</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsReferencedBy">https://www.hzdr.de/publications/Publ-42215</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.14278/rodare.4363</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://rodare.hzdr.de/communities/rodare</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;QMC and DFT-MD data for all the figures and additional (unused) DFT-MD data. All input and output files.&lt;/p&gt;</description>
  </descriptions>
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