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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<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Kumar, Sandeep</dc:creator>
  <dc:creator>Tahmasbi, Hossein</dc:creator>
  <dc:creator>Ramakrishna, Kushal</dc:creator>
  <dc:creator>Lokamani, Mani</dc:creator>
  <dc:creator>Nikolov, Svetoslav</dc:creator>
  <dc:creator>Tranchida, Julien</dc:creator>
  <dc:creator>Wood, Mitchell A.</dc:creator>
  <dc:creator>Cangi, Attila</dc:creator>
  <dc:date>2023-07-18</dc:date>
  <dc:description>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.</dc:description>
  <dc:identifier>https://rodare.hzdr.de/record/2369</dc:identifier>
  <dc:identifier>10.14278/rodare.2369</dc:identifier>
  <dc:identifier>oai:rodare.hzdr.de:2369</dc:identifier>
  <dc:relation>url:https://www.hzdr.de/publications/Publ-37282</dc:relation>
  <dc:relation>url:https://www.hzdr.de/publications/Publ-36890</dc:relation>
  <dc:relation>doi:10.14278/rodare.2368</dc:relation>
  <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:subject>Machine Learning Potential</dc:subject>
  <dc:subject>Warm Dense Matter</dc:subject>
  <dc:title>Training scripts and input data sets: Transferable Interatomic Potential for Aluminum from Ambient Conditions to Warm Dense Matter</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>dataset</dc:type>
</oai_dc:dc>