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

Journal Article

Full Text

Duke Authors

Cited Authors

  • Nath, P; Plata, JJ; Usanmaz, D; Al Rahal Al Orabi, R; Fornari, M; Nardelli, MB; Toher, C; Curtarolo, S

Published Date

  • December 2016

Published In

Volume / Issue

  • 125 /

Chapter

  • C

Start / End Page

  • 82 - 91

International Standard Serial Number (ISSN)

  • 0927-0256

Digital Object Identifier (DOI)

  • 10.1016/j.commatsci.2016.07.043