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LEARNING MATTER

Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations

Submitted by kpg@mit.edu on Sat, 2022-10-15 11:54

kpg@mit.edu's picture
X. Fu, Wu, Z., Wang, W., Xie, T., Keten, S., Gómez-Bombarelli, R., and Jaakkola, T. S., “Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations”, arXiv:2210.07237, 2022.
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