Density Functional Theory-based Quantum Mechanics/Coarse-grained Molecular Mechanics: Theory and Implementation

TitleDensity Functional Theory-based Quantum Mechanics/Coarse-grained Molecular Mechanics: Theory and Implementation
Publication TypeJournal Article
Year of PublicationIn Press
AuthorsMironenko, AV, Voth, GA
JournalJ. Chem. Theory Comp
DOI10.1021/acs.jctc.0c00751