A transferable recommender approach for selecting the best density functional approximations in chemical discovery

Document Details

Document Type
Pub Defense Publication
Publication Date
Dec 22, 2022
Source ID
10.1038/s43588-022-00384-0

Entities

People

  • Aditya Nandy
  • Chenru Duan
  • Heather J. Kulik
  • Naveen Arunachalam
  • Ralf Meyer

Organizations

  • National Science Foundation
  • Office of Naval Research
  • United States Department of Energy