Static and Dynamic Correlations in Water: Classical Ab Initio Molecular Dynamics Run at an Elevated Temperature May Not Capture Well Explicit Nuclear Quantum Effects at Ambient Temperature

TitleStatic and Dynamic Correlations in Water: Classical Ab Initio Molecular Dynamics Run at an Elevated Temperature May Not Capture Well Explicit Nuclear Quantum Effects at Ambient Temperature
Publication TypeJournal Article
Year of Publication2022
AuthorsLi, C, Paesani, F, Voth, GA
JournalJ. Chem. Theory Comp.
Volume18
Issue4
Pagination2124–2131
Date Published03/2022
DOI10.1021/acs.jctc.1c01223