Title | 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 |
Publication Type | Journal Article |
Year of Publication | 2022 |
Authors | Li, C, Paesani, F, Voth, GA |
Journal | J. Chem. Theory Comput. |
Volume | 18 |
Issue | 4 |
Pagination | 2124–2131 |
Date Published | 03/2022 |
DOI | 10.1021/acs.jctc.1c01223 |
PubMed ID | 35263110 |
PubMed Central ID | PMC9059465 |