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20202022
most citedCombining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems

876 citations · 1k across the 6 of their papers we have counts for

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physics.chem-ph2020★ 51 cited

Dynamical Strengthening of Covalent and Non-Covalent Molecular Interactions by Nuclear Quantum Effects at Finite Temperature

Huziel E. Sauceda, Valentin Vassilev-Galindo, Stefan Chmiela +2

Nuclear quantum effects (NQE) tend to generate delocalized molecular dynamics due to the inclusion of the zero point energy and its coupling with the anharmonicities in interatomic…