Samuel S. Schoenholz

Neural Message Passing for Quantum Chemistry

Justin Gilmer, Samuel S. Schoenholz, Patrick Riley et al. · arXiv (Cornell University) · 2017 · 3K citations · Full text

Geometric Learning, Engineering, Machine Learning +18

Neural Message Passing for Quantum Chemistry

Justin Gilmer, Samuel S. Schoenholz, Patrick Riley et al. · arXiv (Cornell University) · 2017 · 1.1K citations · Full text

Geometric Learning, Engineering, Machine Learning +18

Scaling deep learning for materials discovery

Amil Merchant, Simon Batzner, Samuel S. Schoenholz et al. · Nature · 2023 · 984 citations · Full text

Prediction Errors of Molecular Machine Learning Models Lower than Hybrid DFT Error

Felix A. Faber, Luke A. D. Hutchison, Bing Huang et al. · Journal of Chemical Theory and Computation · 2017 · 672 citations

A structural approach to relaxation in glassy liquids

Samuel S. Schoenholz, Ekin D. Cubuk, Daniel M. Sussman et al. · Nature Physics · 2016 · 444 citations · Full text

Relaxation Process, Engineering, Physics +5