most citedInfluence of electronic entropy on Hellmann-Feynman forces in ab initio molecular dynamics with large temperature changes

7 citations · 7 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2023★ 7 cited

Influence of electronic entropy on Hellmann-Feynman forces in ab initio molecular dynamics with large temperature changes

Ming Geng, Chris E. Mohn

The Z method is a popular atomistic simulation method for determining the melting temperature where a sequence of molecular dynamics runs are carried out to target the lowest syste…