Tsz Wai Ko

A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer

Tsz Wai Ko, Jonas A. Finkler, Stefan Goedecker et al. · Nature Communications · 2021 · 472 citations · Full text

General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer

Tsz Wai Ko, Jonas A. Finkler, Stefan Goedecker et al. · Accounts of Chemical Research · 2021 · 131 citations

Recent advances and outstanding challenges for machine learning interatomic potentials

Tsz Wai Ko, Shyue Ping Ong · Nature Computational Science · 2023 · 109 citations

Artificial Intelligence, Engineering, Machine Learning +7

Robust training of machine learning interatomic potentials with dimensionality reduction and stratified sampling

Ji Qi, Tsz Wai Ko, Brandon C. Wood et al. · npj Computational Materials · 2024 · 71 citations · Full text

Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding

Tsz Wai Ko, Jonas A. Finkler, Stefan Goedecker et al. · Journal of Chemical Theory and Computation · 2023 · 45 citations · Full text

Engineering, Machine Learning, Machine Learning Tool +19