High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation

Document Details

Document Type
Pub Defense Publication
Publication Date
Dec 01, 2016
Source ID
10.1016/j.commatsci.2016.07.043

Entities

People

  • Cormac Toher
  • Demet Usanmaz
  • Jose J. Plata
  • Marco Buongiorno Nardelli
  • Marco Fornari
  • Pinku Nath
  • Rabih Al Rahal Al Orabi
  • Stefano Curtarolo

Organizations

  • United States Department of Defense
  • United States Department of Energy