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Data and Scripts for "Accelerating Equilibration in First-Principles Molecular Dynamics with Orbital-Free Density Functional Theory"
Fiedler, Lenz;
Moldabekov, Zhandos;
Shao, Xuecheng;
Jiang, Kaili;
Dornheim, Tobias;
Pavanello, Michele;
Cangi, Attila
BibTeX Export
@misc{fiedler_lenz_2022_1856,
author = {Fiedler, Lenz and
Moldabekov, Zhandos and
Shao, Xuecheng and
Jiang, Kaili and
Dornheim, Tobias and
Pavanello, Michele and
Cangi, Attila},
title = {{Data and Scripts for "Accelerating Equilibration
in First-Principles Molecular Dynamics with
Orbital-Free Density Functional Theory"}},
month = may,
year = 2022,
doi = {10.14278/rodare.1856},
url = {https://doi.org/10.14278/rodare.1856}
}
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| All versions | This version | |
|---|---|---|
| Views | 781 | 417 |
| Downloads | 305 | 217 |
| Data volume | 847.1 GB | 602.4 GB |
| Unique views | 283 | 145 |
| Unique downloads | 42 | 38 |
- Publication date:
- May 30, 2022
- DOI:
-
- Related identifiers:
- Identical to:
https://www.hzdr.de/publications/Publ-34767 - Referenced by:
10.1103/PhysRevResearch.4.043033, https://www.hzdr.de/publications/Publ-34778 - Communities:
- License (for files):
- Creative Commons Attribution 4.0 International