Interfacing q-AQUA with a Polarizable Force Field: The Best of Both Worlds

Document Details

Document Type
Pub Defense Publication
Publication Date
May 30, 2023
Source ID
10.1021/acs.jctc.3c00334

Entities

People

  • Apurba Nandi
  • Chen Qu
  • Joel Bowman
  • Paul Houston
  • Qi Yu
  • Riccardo Conte

Organizations

  • Army Research Office
  • Cornell University
  • Emory University
  • Georgia Tech
  • National Aeronautics and Space Administration
  • University of Milan