Title | Accurate and Transferable Reactive Molecular Dynamics Models from Constrained Density Functional Theory |
Publication Type | Journal Article |
Year of Publication | 2021 |
Authors | Li, C, Voth, GA |
Journal | J. Phys. Chem B |
Volume | 125 |
Issue | 37 |
Pagination | 10471-10480 |
Date Published | 09/2021 |
DOI | 10.1021/acs.jpcb.1c05992 |