Learning to Optimize Molecular Geometries Using Reinforcement Learning

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 20, 2021
Source ID
10.1021/acs.jctc.0c00971

Entities

People

  • Kabir Ahuja
  • William H. Green
  • Yi-Pei Li

Organizations

  • Defense Advanced Research Projects Agency
  • Massachusetts Institute of Technology
  • National Science and Technology Council

Tags

Technology Areas

  • AI & ML
  • AI & ML - Neural Networks