most citedAccurate global machine learning force fields for molecules with hundreds of atoms

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

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1 paper

physics.chem-ph2022★ 9 cited

Accurate global machine learning force fields for molecules with hundreds of atoms

Stefan Chmiela, Valentin Vassilev-Galindo, Oliver T. Unke +4

Global machine learning force fields (MLFFs), that have the capacity to capture collective many-atom interactions in molecular systems, currently only scale up to a few dozen atoms…