Dataset Open Access
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)
Name | Size | |
---|---|---|
aluminium_data_set_mala.zip
md5:597c3051c77922fb5148f140a5249bda |
440.9 GB | Download |
All versions | This version | |
---|---|---|
Views | 1,055 | 927 |
Downloads | 511 | 404 |
Data volume | 189.2 TB | 178.1 TB |
Unique views | 669 | 565 |
Unique downloads | 173 | 112 |