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
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)
Files
(440.9 GB)
| Name | Size | |
|---|---|---|
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aluminium_data_set_mala.zip
md5:597c3051c77922fb5148f140a5249bda |
440.9 GB | Download |
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| Views | 1,343 | 1,038 |
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| Data volume | 214.8 TB | 181.7 TB |
| Unique views | 884 | 658 |
| Unique downloads | 351 | 117 |
- Publication date:
- July 8, 2021
- DOI:
-
- Related identifiers:
- Identical to:
https://www.hzdr.de/publications/Publ-33121 - Communities:
- License (for files):
- Creative Commons Attribution 4.0 International