Application of Screening Functions as Cutoff-Based Alternatives to Ewald Summation in Molecular Dynamics Simulations Using Polarizable Force Fields

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 31, 2018
Source ID
10.1021/acs.jctc.7b01043

Entities

People

  • Dmitry Bedrov
  • Jenel Vatamanu
  • Oleg Borodin

Organizations

  • Oak Ridge Associated Universities
  • United States Army Research Laboratory
  • University of Utah