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

Ellis, J. A.; Fiedler, L.; Popoola, G. A.; Modine, N. A.; Stephens, J. A.; Thompson, A. P.; Cangi, A.; Rajamanickam, S.

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)

  • Reseach data in the HZDR data repository RODARE
    Publication date: 2021-07-08
    DOI: 10.14278/rodare.1106
    License: CC-BY-4.0

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Permalink: https://www.hzdr.de/publications/Publ-33121
Publ.-Id: 33121