Digital Discovery
Using physical property surrogate models to perform accelerated multi-fidelity optimization of force field parameters
Digital Discovery, 2023, Accepted ManuscriptDOI: 10.1039/D2DD00138A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Owen Madin, Michael Shirtsvan der Waals dispersion-repulsion interactions, c…