Title: Accurate Simulations of Water and Aqueous Solutions through Fine-Tuned Dispersion-Corrected Density Functional Theory and Machine-Learning Interatomic Potentials

Authors: 6. Ferretti, A.; Melani, G.; Benedetti, L.; Sorodoc, R.A.; Fortunelli, A.; Brancato, G.

DOI: 10.1021/acs.jcim.5c02079

Date: 2025-11-12

Working Group: WG3

Grant Period: GP4

Grant Period Goal (number): GPG6

Covered deliverables from the MoU (number): 6

Countries involved: Italy

Number of female/young/ITC coauthors: 0/4/0

Is the publication open access?: Yes

Is the publication co-lead by a YRI?: No

Abstract:

Share this article, choose your platform!