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Title: Predictions of new AB O 3 perovskite compounds by combining machine learning and density functional theory

Authors:
; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1432736
Grant/Contract Number:
FG02-07ER46433; FG02-13ER46959
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 2; Journal Issue: 4; Related Information: CHORUS Timestamp: 2018-04-11 10:00:40; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Balachandran, Prasanna V., Emery, Antoine A., Gubernatis, James E., Lookman, Turab, Wolverton, Chris, and Zunger, Alex. Predictions of new AB O 3 perovskite compounds by combining machine learning and density functional theory. United States: N. p., 2018. Web. doi:10.1103/PhysRevMaterials.2.043802.
Balachandran, Prasanna V., Emery, Antoine A., Gubernatis, James E., Lookman, Turab, Wolverton, Chris, & Zunger, Alex. Predictions of new AB O 3 perovskite compounds by combining machine learning and density functional theory. United States. doi:10.1103/PhysRevMaterials.2.043802.
Balachandran, Prasanna V., Emery, Antoine A., Gubernatis, James E., Lookman, Turab, Wolverton, Chris, and Zunger, Alex. Wed . "Predictions of new AB O 3 perovskite compounds by combining machine learning and density functional theory". United States. doi:10.1103/PhysRevMaterials.2.043802.
@article{osti_1432736,
title = {Predictions of new AB O 3 perovskite compounds by combining machine learning and density functional theory},
author = {Balachandran, Prasanna V. and Emery, Antoine A. and Gubernatis, James E. and Lookman, Turab and Wolverton, Chris and Zunger, Alex},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.2.043802},
journal = {Physical Review Materials},
number = 4,
volume = 2,
place = {United States},
year = {Wed Apr 11 00:00:00 EDT 2018},
month = {Wed Apr 11 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on April 11, 2019
Publisher's Accepted Manuscript

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