61 citations · 61 across the 1 of their papers we have counts for
2 papers
physics.comp-ph2020★ 61 cited
Ensemble Learning of Coarse-Grained Molecular Dynamics Force Fields with a Kernel Approach
Jiang Wang, Stefan Chmiela, Klaus-Robert Müller +2
Gradient-domain machine learning (GDML) is an accurate and efficient approach to learn a molecular potential and associated force field based on the kernel ridge regression algorit…
physics.comp-ph2018
Machine Learning of coarse-grained Molecular Dynamics Force Fields
Jiang Wang, Simon Olsson, Christoph Wehmeyer +5
Atomistic or ab-initio molecular dynamics simulations are widely used to predict thermodynamics and kinetics and relate them to molecular structure. A common approach to go beyond…