July 8, 2021 Dataset Open Access

Ellis, J. Austin; Fiedler, Lenz; Popoola, Gabriel A.; Modine, Normand A.; Stephens, John A.; Thompson, Aidan P.; Cangi, Attila; Rajamanickam, Siva

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{
  "url": "https://rodare.hzdr.de/record/1107", 
  "name": "LDOS/SNAP data for MALA: Aluminium at 298K and 933K", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "sameAs": [
    "https://www.hzdr.de/publications/Publ-33121"
  ], 
  "@id": "https://doi.org/10.14278/rodare.1107", 
  "version": "v1.0.0", 
  "distribution": [
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/a0c1f4dc-f6ad-42db-8c2e-047e41579a49/aluminium_data_set_mala.zip", 
      "fileFormat": "zip", 
      "@type": "DataDownload"
    }
  ], 
  "@type": "Dataset", 
  "description": "<p>LDOS/SNAP data for MALA: Aluminium at 298K and 933K (liquid+solid).</p>\n\n<p>&nbsp;</p>\n\n<p>Code development was done jointly by the authors.</p>\n\n<p>The calculations have mainly been performed by:<br>\nDFT-MD snapshots / DFT calculations (LDOS data): N. A. Modine (at SNL)</p>\n\n<p>SNAP data generation: A. P. Thompson (at SNL)</p>\n\n<p>Neural network training: J. A. Ellis (ORNL, formerly SNL), G. A. Popoola (SNL), L. Fiedler (HZDR)</p>", 
  "identifier": "https://doi.org/10.14278/rodare.1107", 
  "datePublished": "2021-07-08", 
  "@context": "https://schema.org/", 
  "creator": [
    {
      "name": "Ellis, J. Austin", 
      "affiliation": "Oak Ridge National Laboratory", 
      "@type": "Person"
    }, 
    {
      "name": "Fiedler, Lenz", 
      "@id": "https://orcid.org/0000-0002-8311-0613", 
      "affiliation": "Helmholtz-Zentrum Dresden-Rossendorf", 
      "@type": "Person"
    }, 
    {
      "name": "Popoola, Gabriel A.", 
      "affiliation": "Sandia National Laboratories", 
      "@type": "Person"
    }, 
    {
      "name": "Modine, Normand A.", 
      "affiliation": "Sandia National Laboratories", 
      "@type": "Person"
    }, 
    {
      "name": "Stephens, John A.", 
      "affiliation": "Sandia National Laboratories", 
      "@type": "Person"
    }, 
    {
      "name": "Thompson, Aidan P.", 
      "affiliation": "Sandia National Laboratories", 
      "@type": "Person"
    }, 
    {
      "name": "Cangi, Attila", 
      "affiliation": "Helmholtz-Zentrum Dresden-Rossendorf", 
      "@type": "Person"
    }, 
    {
      "name": "Rajamanickam, Siva", 
      "affiliation": "Sandia National Laboratories", 
      "@type": "Person"
    }
  ]
}