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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

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Publication date:
May 30, 2022
DOI:
10.14278/rodare.1856

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DOI 

10.14278/rodare.1856

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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
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License (for files):
Creative Commons Attribution 4.0 International

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Version 1.0.1 10.14278/rodare.1856 May 30, 2022
Version 1.0.0 10.14278/rodare.1649 May 30, 2022
Cite all versions? You can cite all versions by using the DOI 10.14278/rodare.1648. This DOI represents all versions, and will always resolve to the latest one. Read more.

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