Dataset Open Access

Data publication: Van-der-Waals exchange-correlation functionals and their high pressure and warm dense matter applications

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

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  <dc:creator>Vorberger, Jan</dc:creator>
  <dc:creator>Smith, Gabriel J.</dc:creator>
  <dc:creator>van Benschoten, William Z.</dc:creator>
  <dc:creator>Petras, Hayley R.</dc:creator>
  <dc:creator>Moldabekov, Zhandos</dc:creator>
  <dc:creator>Dornheim, Tobias</dc:creator>
  <dc:creator>Shepherd, James J.</dc:creator>
  <dc:date>2026-01-12</dc:date>
  <dc:description>QMC and DFT-MD data for all the figures and additional (unused) DFT-MD data. All input and output files.</dc:description>
  <dc:identifier>https://rodare.hzdr.de/record/4364</dc:identifier>
  <dc:identifier>10.14278/rodare.4364</dc:identifier>
  <dc:identifier>oai:rodare.hzdr.de:4364</dc:identifier>
  <dc:relation>url:https://www.hzdr.de/publications/Publ-42734</dc:relation>
  <dc:relation>url:https://www.hzdr.de/publications/Publ-42215</dc:relation>
  <dc:relation>doi:10.14278/rodare.4363</dc:relation>
  <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:subject>hydrogen</dc:subject>
  <dc:subject>liquid-liquid phase transition</dc:subject>
  <dc:subject>molecular</dc:subject>
  <dc:subject>metallic</dc:subject>
  <dc:subject>equation of state</dc:subject>
  <dc:subject>van der Waals</dc:subject>
  <dc:subject>structure</dc:subject>
  <dc:subject>density functional theory</dc:subject>
  <dc:title>Data publication: Van-der-Waals exchange-correlation functionals and their high pressure and warm dense matter applications</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>dataset</dc:type>
</oai_dc:dc>
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Publication date:
January 12, 2026
DOI:
10.14278/rodare.4364

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10.14278/rodare.4364

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Keyword(s):
hydrogen liquid-liquid phase transition molecular metallic equation of state van der Waals structure density functional theory
Related identifiers:
Identical to:
https://www.hzdr.de/publications/Publ-42734
Referenced by:
https://www.hzdr.de/publications/Publ-42215
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License (for files):
Creative Commons Attribution 4.0 International

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