A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems - researchr publication

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Jonathan P. Mailoa, Mordechai Kornbluth, Simon L. Batzner, Georgy Samsonidze, Stephen T. Lam, Jonathan Vandermause, Chris Ablitt, Nicola Molinari, Boris Kozinsky. A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems. Nat. Mach. Intell., 1(10):471-479, 2019. [doi]

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