Data supporting "Lessons learned from multi-objective automatic optimizations of classical three-site rigid water models using microscopic and macroscopic target experimental observables"
Mattia Perrone, Riccardo Capelli, Charly Empereur‐mot, Ali A. Hassanali, Giovanni Maria Pavan · Zenodo (CERN European Organization for Nuclear Research) · 2023
This repository contains the set of data and the code to reproduce the results shown in "Lessons learned from multi-objective automatic optimizations of classical three-site rigid water models using microscopic and macroscopic target experimental observables" published on Journal of Chemical Engineering and Data (DOI: 10.1021/acs.jced.3c00538).