most citedMolecular Force Fields with Gradient-Domain Machine Learning: Construction and Application to Dynamics of Small Molecules with Coupled Cluster Forces

113 citations · 113 across the 1 of their papers we have counts for

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physics.chem-ph2019★ 113 cited

Molecular Force Fields with Gradient-Domain Machine Learning: Construction and Application to Dynamics of Small Molecules with Coupled Cluster Forces

Huziel E. Sauceda, Stefan Chmiela, Igor Poltavsky +2

We present the construction of molecular force fields for small molecules (less than 25 atoms) using the recently developed symmetrized gradient-domain machine learning (sGDML) app…