Predicting energy and stability of known and hypothetical crystals using graph neural network

Document Details

Document Type
Pub Defense Publication
Publication Date
Nov 01, 2021
Source ID
10.1016/j.patter.2021.100361

Entities

People

  • Jiaxing Qu
  • Peter C. St. John
  • Prashun Gorai
  • S. Pandey
  • Vladan Stevanović

Organizations

  • ARPA-E
  • Defense Advanced Research Projects Agency
  • National Renewable Energy Laboratory
  • National Science Foundation
  • Office of Energy Efficiency and Renewable Energy
  • United States Department of Energy

Tags

Technology Areas

  • AI & ML
  • AI & ML - Neural Networks