Transferable Dynamic Molecular Charge Assignment Using Deep Neural Networks

Document Details

Document Type
Pub Defense Publication
Publication Date
Jul 31, 2018
Source ID
10.1021/acs.jctc.8b00524

Entities

People

  • Adrian Roitberg
  • Andrew E Sifain
  • Andrey Y Lokhov
  • Benjamin Nebgen
  • Justin S Smith
  • Kipton Barros
  • Nicholas Lubbers
  • Olexandr Isayev
  • Sergei Tretiak

Organizations

  • Eshelman Institute for Innovation, University of North Carolina
  • Los Alamos National Laboratory
  • Office of Naval Research
  • UNC Eshelman School of Pharmacy
  • University of Florida
  • University of Southern California

Tags

Technology Areas

  • AI & ML
  • AI & ML - Neural Networks