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

Dublin Core Export

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  <dc:creator>Ellis, J. Austin</dc:creator>
  <dc:creator>Fiedler, Lenz</dc:creator>
  <dc:creator>Popoola, Gabriel A.</dc:creator>
  <dc:creator>Modine, Normand A.</dc:creator>
  <dc:creator>Stephens, John A.</dc:creator>
  <dc:creator>Thompson, Aidan P.</dc:creator>
  <dc:creator>Cangi, Attila</dc:creator>
  <dc:creator>Rajamanickam, Siva</dc:creator>
  <dc:date>2021-07-08</dc:date>
  <dc:description>LDOS/SNAP data for MALA: Aluminium at 298K and 933K (liquid+solid).

 

Code development was done jointly by the authors.

The calculations have mainly been performed by:
DFT-MD snapshots / DFT calculations (LDOS data): N. A. Modine (at SNL)

SNAP data generation: A. P. Thompson (at SNL)

Neural network training: J. A. Ellis (ORNL, formerly SNL), G. A. Popoola (SNL), L. Fiedler (HZDR)</dc:description>
  <dc:identifier>https://rodare.hzdr.de/record/1107</dc:identifier>
  <dc:identifier>10.14278/rodare.1107</dc:identifier>
  <dc:identifier>oai:rodare.hzdr.de:1107</dc:identifier>
  <dc:relation>url:https://www.hzdr.de/publications/Publ-33121</dc:relation>
  <dc:relation>doi:10.14278/rodare.1106</dc:relation>
  <dc:relation>url:https://rodare.hzdr.de/communities/hzdr</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:title>LDOS/SNAP data for MALA: Aluminium at 298K and 933K</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>dataset</dc:type>
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