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DEGAUSS: A Novel Softcore Force Field Using Double Exponential van der Waals and Gaussian Charge for Molecular Dynamics Simulations I: Theory and Validation
Zhen Huang
,
Yong Duan
,
Xiongwu Wu
,
Ray Luo
November 2025
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DOI
Type
Journal article
Publication
Journal of Chemical Theory and Computation
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