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20122026
most citedE(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials

1.9k citations · 2k across the 11 of their papers we have counts for

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Showing 2019 · physics.comp-phShow all

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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★ 28 cited

A group theoretical approach to computing phonons and their interactions

Lyuwen Fu, Mordechai Kornbluth, Zhengqian Cheng +1

Here we present four independent advances which facilitate the computation of phonons and their interactions from first-principles. First, we implement a group-theoretical approach…