Gábor Cśanyi

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

Albert P. Bartók, M. C. Payne, Risi Kondor et al. · Physical Review Letters · 2010 · 3K citations · Full text

Engineering, Material Simulation, Computational Chemistry +22

On representing chemical environments

Albert P. Bartók, Risi Kondor, Gábor Cśanyi · Physical Review B · 2013 · 2.5K citations · Full text

Engineering, Potential Energy Surface, Chemical Analysis +17

Performance and Cost Assessment of Machine Learning Interatomic Potentials

Yunxing Zuo, Chi Chen, Xiangguo Li et al. · The Journal of Physical Chemistry A · 2020 · 891 citations · Full text

Comparing molecules and solids across structural and alchemical space

Sandip De, Albert P. Bartók, Gábor Cśanyi et al. · Physical Chemistry Chemical Physics · 2016 · 770 citations · Full text

Machine learning unifies the modeling of materials and molecules

Albert P. Bartók, Sandip De, Carl Poelking et al. · Science Advances · 2017 · 748 citations · Full text