July 18, 2023 Dataset Open Access

Kumar, Sandeep; Tahmasbi, Hossein; Ramakrishna, Kushal; Lokamani, Mani; Nikolov, Svetoslav; Tranchida, Julien; Wood, Mitchell A.; Cangi, Attila

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  <identifier identifierType="DOI">10.14278/rodare.2369</identifier>
  <creators>
    <creator>
      <creatorName>Kumar, Sandeep</creatorName>
      <givenName>Sandeep</givenName>
      <familyName>Kumar</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-6398-0427</nameIdentifier>
      <affiliation>Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Görlitz, Germany</affiliation>
    </creator>
    <creator>
      <creatorName>Tahmasbi, Hossein</creatorName>
      <givenName>Hossein</givenName>
      <familyName>Tahmasbi</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-3072-8217</nameIdentifier>
      <affiliation>Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Görlitz, Germany</affiliation>
    </creator>
    <creator>
      <creatorName>Ramakrishna, Kushal</creatorName>
      <givenName>Kushal</givenName>
      <familyName>Ramakrishna</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-4211-2484</nameIdentifier>
      <affiliation>Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Görlitz, Germany</affiliation>
    </creator>
    <creator>
      <creatorName>Lokamani, Mani</creatorName>
      <givenName>Mani</givenName>
      <familyName>Lokamani</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-8679-5905</nameIdentifier>
      <affiliation>Center for AdHelmholtz-Zentrum Dresden-Rossendorf (HZDR), Dresden, Germany</affiliation>
    </creator>
    <creator>
      <creatorName>Nikolov, Svetoslav</creatorName>
      <givenName>Svetoslav</givenName>
      <familyName>Nikolov</familyName>
      <affiliation>Computational Multiscale Department, Sandia National Laboratories, 87185 Albuquerque, NM, United States</affiliation>
    </creator>
    <creator>
      <creatorName>Tranchida, Julien</creatorName>
      <givenName>Julien</givenName>
      <familyName>Tranchida</familyName>
      <affiliation>CEA, DES, IRESNE, DEC, SESC, LM2C, F-13108 Saint-Paul-Lez-Durance, France</affiliation>
    </creator>
    <creator>
      <creatorName>Wood, Mitchell A.</creatorName>
      <givenName>Mitchell A.</givenName>
      <familyName>Wood</familyName>
      <affiliation>Computational Multiscale Department, Sandia National Laboratories, 87185 Albuquerque, NM, United States</affiliation>
    </creator>
    <creator>
      <creatorName>Cangi, Attila</creatorName>
      <givenName>Attila</givenName>
      <familyName>Cangi</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-9162-262X</nameIdentifier>
      <affiliation>Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Görlitz, Germany</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Training scripts and input data sets: Transferable Interatomic Potential for Aluminum from Ambient Conditions to Warm Dense Matter</title>
  </titles>
  <publisher>Rodare</publisher>
  <publicationYear>2023</publicationYear>
  <subjects>
    <subject>Machine Learning Potential</subject>
    <subject>Warm Dense Matter</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2023-07-18</date>
  </dates>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://rodare.hzdr.de/record/2369</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsIdenticalTo">https://www.hzdr.de/publications/Publ-37282</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsReferencedBy">https://www.hzdr.de/publications/Publ-36890</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.14278/rodare.2368</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://rodare.hzdr.de/communities/rodare</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;Here, we provide FitSNAP and DAKOTA input scripts and DFT-MD training data sets used for the generation of transferable SNAP ML-IAP for aluminum.&lt;/p&gt;</description>
  </descriptions>
</resource>