On the design space between molecular mechanics and machine learning force fields

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Yuanqing Wang, Kenichiro Takaba, Michael S. Chen, Marcus Wieder, Yuzhi Xu, Tong Zhu, John Z. H. Zhang, Arnav Nagle, Kuang Yu, Xinyan Wang, Daniel J. Cole, Joshua A. Rackers, Kyunghyun Cho, Joe G. Greener, Peter Eastman, Stefano Martiniani, Mark E. Tuckerman

Published: 01 Jun 2025, Last Modified: 09 Nov 2025Applied Physics ReviewsEveryoneRevisionsCC BY-SA 4.0