SCC-DFTB Parameters for Fe–C Interactions

Document Details

Document Type
Pub Defense Publication
Publication Date
Nov 09, 2020
Source ID
10.1021/acs.jpca.0c08202

Entities

People

  • Chang Liu
  • Elena Jakubikova
  • Enrique R. Batista
  • Marc J Cawkwell
  • Néstor F Aguirre
  • Ping Yang

Organizations

  • Army Research Office
  • Los Alamos National Laboratory
  • North Carolina State University
  • Office of Basic Energy Sciences