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LEARNING MATTER

Expanding the Extrapolation Limits of Neural Network Force Fields using Physics-Based Data Augmentation

Submitted by kpg@mit.edu on Thu, 2023-06-01 10:26

kpg@mit.edu's picture
Y. Orlova, Ridley, G. Keith, Zhao, F., and Gómez-Bombarelli, R., “Expanding the Extrapolation Limits of Neural Network Force Fields using Physics-Based Data Augmentation”, in Workshop on "Machine Learning for Materials" at ICLR, 2023.
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