Electrostatics: Fixed Point Charges and Polarization

Main Authors: Gilson, Michael K., Jang, Hyesu, Nerenberg, Paul S., Schauperl, Michael, Wang, Lee Ping
Format: info Proceeding Journal
Bahasa: eng
Terbitan: , 2019
Subjects:
Online Access: https://zenodo.org/record/3243679
Daftar Isi:
  • Michael Schauperl and Hyesu Jang describe how molecules will be parameterized for fixed charge and polarizable SMIRNOFF force fields at Open Force Field Consortium Workshop in San Diego, Jan 8 2019.