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

Authors:
; ; ; ; ; ; ;
Publication Date:
Grant/Contract Number:
AC02-05CH11231
Type:
Publisher's Accepted Manuscript
Journal Name:
Computational Materials Science
Additional Journal Information:
Journal Volume: 125; Journal Issue: C; Related Information: CHORUS Timestamp: 2018-09-08 15:57:11; Journal ID: ISSN 0927-0256
Publisher:
Elsevier
Sponsoring Org:
USDOE
Country of Publication:
Netherlands
Language:
English
OSTI Identifier:
1358981

Nath, Pinku, Plata, Jose J., Usanmaz, Demet, Al Rahal Al Orabi, Rabih, Fornari, Marco, Nardelli, Marco Buongiorno, Toher, Cormac, and Curtarolo, Stefano. High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation. Netherlands: N. p., Web. doi:10.1016/j.commatsci.2016.07.043.
Nath, Pinku, Plata, Jose J., Usanmaz, Demet, Al Rahal Al Orabi, Rabih, Fornari, Marco, Nardelli, Marco Buongiorno, Toher, Cormac, & Curtarolo, Stefano. High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation. Netherlands. doi:10.1016/j.commatsci.2016.07.043.
Nath, Pinku, Plata, Jose J., Usanmaz, Demet, Al Rahal Al Orabi, Rabih, Fornari, Marco, Nardelli, Marco Buongiorno, Toher, Cormac, and Curtarolo, Stefano. 2016. "High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation". Netherlands. doi:10.1016/j.commatsci.2016.07.043.
@article{osti_1358981,
title = {High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation},
author = {Nath, Pinku and Plata, Jose J. and Usanmaz, Demet and Al Rahal Al Orabi, Rabih and Fornari, Marco and Nardelli, Marco Buongiorno and Toher, Cormac and Curtarolo, Stefano},
abstractNote = {},
doi = {10.1016/j.commatsci.2016.07.043},
journal = {Computational Materials Science},
number = C,
volume = 125,
place = {Netherlands},
year = {2016},
month = {12}
}