Search Results for author: Simon L. Batzner

Found 1 papers, 0 papers with code

Fast Neural Network Approach for Direct Covariant Forces Prediction in Complex Multi-Element Extended Systems

no code implementations7 May 2019 Jonathan P. Mailoa, Mordechai Kornbluth, Simon L. Batzner, Georgy Samsonidze, Stephen T. Lam, Chris Ablitt, Nicola Molinari, Boris Kozinsky

Neural network force field (NNFF) is a method for performing regression on atomic structure-force relationships, bypassing expensive quantum mechanics calculation which prevents the execution of long ab-initio quality molecular dynamics simulations.

Atomic Forces

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