Benchmarking the Performance of the ReaxFF Reactive Force Field on Hydrogen Combustion Systems

Document Details

Document Type
Pub Defense Publication
Publication Date
Jun 05, 2020
Source ID
10.1021/acs.jpca.0c02734

Entities

People

  • Jason R Green
  • Lucas B. Newcomb
  • Luke W Bertels
  • Martin Head-Gordon
  • Mohammad Alaghemandi

Organizations

  • Army Research Office
  • Division of Graduate Education
  • Lawrence Berkeley National Laboratory
  • United States Army Research Laboratory
  • University of Massachusetts Boston
  • Yusuf Hamied Department of Chemistry