2 papers
physics.chem-ph2021
Neural Network Potentials: A Concise Overview of Methods
Emir Kocer, Tsz Wai Ko, Jörg Behler
In the past two decades, machine learning potentials (MLP) have reached a level of maturity that now enables applications to large-scale atomistic simulations of a wide range of sy…
cond-mat.mtrl-sci2020
A Fourth-Generation High-Dimensional Neural Network Potential with Accurate Electrostatics Including Non-local Charge Transfer
Tsz Wai Ko, Jonas A. Finkler, Stefan Goedecker +1
Machine learning potentials have become an important tool for atomistic simulations in many fields, from chemistry via molecular biology to materials science. Most of the establish…