Multiscale Reactive Model for 1,3,5-Triamino-2,4,6-trinitrobenzene Inferred by Reactive MD Simulations and Unsupervised Learning

Document Details

Document Type
Pub Defense Publication
Publication Date
Aug 01, 2023
Source ID
10.1021/acs.jpcc.3c02678

Entities

People

  • Alejandro Strachan
  • Brenden W Hamilton
  • J. Roche
  • Jean‐Bernard Maillet
  • M. Sakano
  • Paul Lafourcade

Organizations

  • Alternative Energies and Atomic Energy Commission
  • Los Alamos National Laboratory
  • Paris-Saclay University
  • Polytechnic Institute of Paris
  • Purdue University
  • Sandia National Laboratories
  • United States Army Research Laboratory

Tags

Technology Areas

  • AI & ML
  • AI & ML - Neural Networks