Lessons Learned from Multiobjective Automatic Optimizations of Classical Three-Site Rigid Water Models Using Microscopic and Macroscopic Target Experimental Observables

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Authors: M. Perrone, R. Capelli, C. Empereur-mot, A. Hassanali, G. M. Pavan

Journal title: Journal of Chemical & Engineering Data

Journal number: 68

Journal publisher: American Chemical Society

Published year: 2023

Published pages: 3228–3241

DOI identifier: 10.1021/acs.jced.3c00538

ISSN: 0021-9568