Jonas A. Finkler

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

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

CENT2: Improved charge equilibration via neural network technique

Ehsan Rahmatizad Khajehpasha, Jonas A. Finkler, Thomas D. Kühne et al. · Physical review. B./Physical review. B · 2022 · 22 citations

Engineering, Machine Learning, Computational Chemistry +17

Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge Equilibration

Moritz Gubler, Jonas A. Finkler, Moritz R. Schäfer et al. · Journal of Chemical Theory and Computation · 2024 · 19 citations · Full text

Engineering, Machine Learning, Machine Learning Tool +20