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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<dct:title>LDOS/SNAP data for MALA: Aluminium at 298K and 933K</dct:title>
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<dct:description><p>LDOS/SNAP data for MALA: Aluminium at 298K and 933K (liquid+solid).</p> <p>&nbsp;</p> <p>Code development was done jointly by the authors.</p> <p>The calculations have mainly been performed by:<br> DFT-MD snapshots / DFT calculations (LDOS data): N. A. Modine (at SNL)</p> <p>SNAP data generation: A. P. Thompson (at SNL)</p> <p>Neural network training: J. A. Ellis (ORNL, formerly SNL), G. A. Popoola (SNL), L. Fiedler (HZDR)</p></dct:description>
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