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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downloads
| All versions | This version | |
|---|---|---|
| Views | 2,313 | 1,502 |
| Downloads | 1,361 | 429 |
| Data volume | 282.9 TB | 189.2 TB |
| Unique views | 1,523 | 1,007 |
| Unique downloads | 693 | 134 |
- 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