Software tools for thermodynamic calculation of mechanically unstable phases from first-principles data

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 01, 2020
Source ID
10.1016/j.cpc.2019.01.008

Entities

People

  • Axel van de Walle
  • Sara Kadkhodaei

Organizations

  • Brown University
  • National Science Foundation
  • Office of Naval Research