1.9k citations · 2.1k across the 11 of their papers we have counts for
Showing 2019Show all
2 papers · 1 filter
physics.comp-ph2019★ 46 cited
Fast Neural Network Approach for Direct Covariant Forces Prediction in Complex Multi-Element Extended Systems
Jonathan P. Mailoa, Mordechai Kornbluth, Simon L. Batzner +5
Neural network force field (NNFF) is a method for performing regression on atomic structure-force relationships, bypassing expensive quantum mechanics calculation which prevents th…
physics.comp-ph2019★ 4 cited
On-the-Fly Active Learning of Interpretable Bayesian Force Fields for Atomistic Rare Events
Jonathan Vandermause, Steven B. Torrisi, Simon Batzner +4
Machine learned force fields typically require manual construction of training sets consisting of thousands of first principles calculations, which can result in low training effic…