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MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields

Ilyes Batatia, Gábor Csányi, Dávid Péter Kovács, Christoph Ortner, Gregor N. C. Simm

2022121 citationsDOI

Topics & Concepts

Computer scienceArtificial neural networkAlgorithmOrder (exchange)Equivariant mapField (mathematics)MathematicsArtificial intelligenceWork (physics)Action (physics)Theoretical computer scienceStability (learning theory)Message passingModel Reduction and Neural NetworksNeural Networks and ApplicationsNeural Networks and Reservoir Computing
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