End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for Finite and Extended Systems

1 code implementation • NeurIPS 2018 • Linfeng Zhang, Jiequn Han, Han Wang, Wissam A. Saidi, Roberto Car, Weinan E

Machine learning models are changing the paradigm of molecular modeling, which is a fundamental tool for material science, chemistry, and computational biology.

Computational Physics Materials Science Chemical Physics