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Accelerating Equilibration in First-Principles Molecular Dy..:
Fiedler, Lenz
;
Moldabekov, Zhandos A
;
Shao, Xuecheng
...
http://arxiv.org/abs/2206.03754. , 2022
Link:
http://arxiv.org/abs/2206.03754
RT Journal T1 <Title>Accelerating Equilibration in First-Principles Molecular Dynamics with Orbital-Free Density Functional Theory</Title> UL https://suche.suub.uni-bremen.de/peid=base-ftarxivpreprints:oai:arXiv.org:2206.03754&Exemplar=1&LAN=DE A1 Fiedler, Lenz A1 Moldabekov, Zhandos A A1 Shao, Xuecheng A1 Jiang, Kaili A1 Dornheim, Tobias A1 Pavanello, Michele A1 Cangi, Attila YR 2022 K1 Condensed Matter - Materials Science JF http://arxiv.org/abs/2206.03754 LK http://arxiv.org/abs/2206.03754 DO http://arxiv.org/abs/2206.03754 SF ELIB - SuUB Bremen
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