Atomic-Level Features for Kinetic Monte Carlo Models of Complex Chemistry from Molecular Dynamics Simulations

Document Details

Document Type
Pub Defense Publication
Publication Date
May 11, 2021
Source ID
10.1021/acs.jpca.1c00942

Entities

People

  • Evan J Reed
  • Rodrigo Freitas
  • Vincent Dufour-Décieux

Organizations

  • Air Force Office of Scientific Research
  • Massachusetts Institute of Technology
  • National Nuclear Security Administration
  • Stanford University