J. Bowman

activity

20222026

most cited

Δ

-Machine Learning to Elevate DFT-based Potentials and a Force Field to the CCSD(T) Level Illustrated for Ethanol

24 citations · 87 across the 13 of their papers we have counts for

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physics.chem-ph2022★ 23 cited

A $Δ$ -Machine Learning Approach for Force Fields, Illustrated by a CCSD(T) 4-body Correction to the MB-pol Water Potential

Chen Qu, Qi Yu, Riccardo Conte +3

$Δ$ -Machine Learning ( $Δ$ -ML) has been shown to effectively and efficiently bring a low-level ML potential energy surface to CCSD(T) quality. Here we propose extending this approac…

A Δ-Machine Learning Approach for Force Fields, Illustrated by a CCSD(T) 4-body Correction to the MB-pol Water Potential

A $Δ$ -Machine Learning Approach for Force Fields, Illustrated by a CCSD(T) 4-body Correction to the MB-pol Water Potential