Density Functional Theory-Based Quantum Mechanics/Coarse-Grained Molecular Mechanics: Theory and Implementation

Document Details

Document Type
Pub Defense Publication
Publication Date
Sep 02, 2020
Source ID
10.1021/acs.jctc.0c00751

Entities

People

  • Alexander V. Mironenko
  • Gregory A. Voth

Organizations

  • National Science Foundation
  • Office of Naval Research
  • University of Chicago

Tags

Technology Areas

  • Quantum Computing