most citedMachine-learning enabled optimization of atomic structures using atoms with fractional existence

9 citations · 9 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2022★ 9 cited

Machine-learning enabled optimization of atomic structures using atoms with fractional existence

Casper Larsen, Sami Kaappa, Andreas Lynge Vishart +2

We introduce a method for global optimization of the structure of atomic systems that uses additional atoms with fractional existence. The method allows for movement of atoms over…