Cost-Effective Method for Free-Energy Minimization in Complex Systems with Elaborated Ab Initio Potentials

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https://hal.univ-lorraine.fr/hal-02267748
Contributor : Manuel Ruiz-Lopez <>
Submitted on : Monday, August 19, 2019 - 4:58:26 PM
Last modification on : Wednesday, September 25, 2019 - 1:56:24 PM

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Carlos Bistafa, Yukichi Kitamura, Marilia Martins-Costa, Masataka Nagaoka, Manuel Ruiz-Lopez. Cost-Effective Method for Free-Energy Minimization in Complex Systems with Elaborated Ab Initio Potentials. Journal of Chemical Theory and Computation, American Chemical Society, 2018, 14 (6), pp.3262-3271. ⟨10.1021/acs.jctc.8b00271⟩. ⟨hal-02267748⟩

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