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

Natural Sciences, Chemistry, Materials Science +14

Scaling deep learning for materials discovery

Amil Merchant, Simon Batzner, Samuel S. Schoenholz et al. · Nature · 2023 · 1.2K citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Neural Message Passing for Quantum Chemistry

Justin Gilmer, Samuel S. Schoenholz, Patrick Riley et al. · arXiv (Cornell University) · 2017 · 1.2K citations · Full text

Natural Sciences, Chemistry, Materials Science +14

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 · 686 citations

Natural Sciences, Chemistry, Physics +17

Beyond the Imitation Game: Quantifying and extrapolating the capabilities of language models

Aarohi Srivastava, Abhinav Rastogi, Abhishek S. Rao et al. · arXiv (Cornell University) · 2022 · 548 citations · Full text

Computing, Computer Science, Linguistics +14