Ferenc Karsai

On-the-fly machine learning force field generation: Application to melting points

Ryosuke Jinnouchi, Ferenc Karsai, Georg Kresse · Physical review. B./Physical review. B · 2019 · 590 citations · Full text

Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference

Ryosuke Jinnouchi, Jonathan Lahnsteiner, Ferenc Karsai et al. · Physical Review Letters · 2019 · 582 citations · Full text

Descriptors representing two- and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials

Ryosuke Jinnouchi, Ferenc Karsai, Carla Verdi et al. · The Journal of Chemical Physics · 2020 · 222 citations

Engineering, Machine Learning, Many-body Quantum Physic +21

On-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations

Ryosuke Jinnouchi, Kazutoshi Miwa, Ferenc Karsai et al. · The Journal of Physical Chemistry Letters · 2020 · 189 citations

Machine-learning Force Fields, Engineering, Active-learning Schemes +18

Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials

Carla Verdi, Ferenc Karsai, Peitao Liu et al. · npj Computational Materials · 2021 · 145 citations · Full text