Efficient predictions of formation energies and convex hulls from density functional tight binding calculations

Document Details

Document Type
Pub Defense Publication
Publication Date
Apr 01, 2023
Source ID
10.1016/j.jmst.2022.10.002

Entities

People

  • Anshuman Kumar
  • Bryan M. Wong
  • Zulfikhar A. Ali

Organizations

  • National Energy Technology Laboratory
  • United States Department of Energy