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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{
  "issued": {
    "date-parts": [
      [
        2021, 
        7, 
        8
      ]
    ]
  }, 
  "DOI": "10.14278/rodare.1107", 
  "author": [
    {
      "family": "Ellis, J. Austin"
    }, 
    {
      "family": "Fiedler, Lenz"
    }, 
    {
      "family": "Popoola, Gabriel A."
    }, 
    {
      "family": "Modine, Normand A."
    }, 
    {
      "family": "Stephens, John A."
    }, 
    {
      "family": "Thompson, Aidan P."
    }, 
    {
      "family": "Cangi, Attila"
    }, 
    {
      "family": "Rajamanickam, Siva"
    }
  ], 
  "title": "LDOS/SNAP data for MALA: Aluminium at 298K and 933K", 
  "publisher": "Rodare", 
  "type": "dataset", 
  "version": "v1.0.0", 
  "abstract": "<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>", 
  "id": "1107"
}