Putting Density Functional Theory to the Test in Machine-Learning-Accelerated Materials Discovery

Document Details

Document Type
Pub Defense Publication
Publication Date
May 11, 2021
Source ID
10.1021/acs.jpclett.1c00631

Entities

People

  • Aditya Nandy
  • Chenru Duan
  • Fang Liu
  • Heather J. Kulik

Organizations

  • American Association for the Advancement of Science
  • Burroughs Wellcome Fund
  • Defense Advanced Research Projects Agency
  • Division of Chemical, Bioengineering, Environmental, and Transport Systems
  • Massachusetts Institute of Technology
  • Office of Basic Energy Sciences
  • Office of Naval Research

Tags

Technology Areas

  • AI & ML
  • AI & ML - Neural Networks