Dataset Open Access

LDOS/SNAP data for MALA: Aluminium at 298K and 933K

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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    <subfield code="a">&lt;p&gt;LDOS/SNAP data for MALA: Aluminium at 298K and 933K (liquid+solid).&lt;/p&gt;

&lt;p&gt;&amp;nbsp;&lt;/p&gt;

&lt;p&gt;Code development was done jointly by the authors.&lt;/p&gt;

&lt;p&gt;The calculations have mainly been performed by:&lt;br&gt;
DFT-MD snapshots / DFT calculations (LDOS data): N. A. Modine (at SNL)&lt;/p&gt;

&lt;p&gt;SNAP data generation: A. P. Thompson (at SNL)&lt;/p&gt;

&lt;p&gt;Neural network training: J. A. Ellis (ORNL, formerly SNL), G. A. Popoola (SNL), L. Fiedler (HZDR)&lt;/p&gt;</subfield>
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