DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization

Document Details

Document Type
Pub Defense Publication
Publication Date
Nov 01, 2022
Source ID
10.1016/j.cpc.2022.108473

Entities

People

  • David M Rogers
  • Phani Motamarri
  • Sambit Das
  • Vikram Gavini
  • Vishal Subramanian

Organizations

  • Air Force Office of Scientific Research
  • Army Research Office
  • Department of Science and Technology
  • Indian Institute of Science, Bengaluru
  • National Science Foundation
  • Office of Basic Energy Sciences
  • Office of Science
  • Science and Engineering Research Board
  • Toyota Research Institute
  • United States Department of Energy