Published December 4, 2023 | Version v1
Dataset Open

Data supporting "Lessons learned from multi-objective automatic optimizations of classical three-site rigid water models using microscopic and macroscopic target experimental observables"

  • 1. Università degli Studi di Milano

Description

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).

Files

WATEROPTI.zip

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Additional details

Funding

European Commission
DYNAPOL - Modeling approaches toward bioinspired dynamic materials 818776