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Title: Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows

Authors:
; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1495847
Grant/Contract Number:  
[AC02 05CH11231; AC0205CH11231; AC36-08GO28308; AC02-05CH11231]
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Computational Materials Science
Additional Journal Information:
[Journal Name: Computational Materials Science Journal Volume: 139 Journal Issue: C]; Journal ID: ISSN 0927-0256
Publisher:
Elsevier
Country of Publication:
Netherlands
Language:
English

Citation Formats

Mathew, Kiran, Montoya, Joseph H., Faghaninia, Alireza, Dwarakanath, Shyam, Aykol, Muratahan, Tang, Hanmei, Chu, Iek-heng, Smidt, Tess, Bocklund, Brandon, Horton, Matthew, Dagdelen, John, Wood, Brandon, Liu, Zi-Kui, Neaton, Jeffrey, Ong, Shyue Ping, Persson, Kristin, and Jain, Anubhav. Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows. Netherlands: N. p., 2017. Web. doi:10.1016/j.commatsci.2017.07.030.
Mathew, Kiran, Montoya, Joseph H., Faghaninia, Alireza, Dwarakanath, Shyam, Aykol, Muratahan, Tang, Hanmei, Chu, Iek-heng, Smidt, Tess, Bocklund, Brandon, Horton, Matthew, Dagdelen, John, Wood, Brandon, Liu, Zi-Kui, Neaton, Jeffrey, Ong, Shyue Ping, Persson, Kristin, & Jain, Anubhav. Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows. Netherlands. doi:10.1016/j.commatsci.2017.07.030.
Mathew, Kiran, Montoya, Joseph H., Faghaninia, Alireza, Dwarakanath, Shyam, Aykol, Muratahan, Tang, Hanmei, Chu, Iek-heng, Smidt, Tess, Bocklund, Brandon, Horton, Matthew, Dagdelen, John, Wood, Brandon, Liu, Zi-Kui, Neaton, Jeffrey, Ong, Shyue Ping, Persson, Kristin, and Jain, Anubhav. Wed . "Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows". Netherlands. doi:10.1016/j.commatsci.2017.07.030.
@article{osti_1495847,
title = {Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows},
author = {Mathew, Kiran and Montoya, Joseph H. and Faghaninia, Alireza and Dwarakanath, Shyam and Aykol, Muratahan and Tang, Hanmei and Chu, Iek-heng and Smidt, Tess and Bocklund, Brandon and Horton, Matthew and Dagdelen, John and Wood, Brandon and Liu, Zi-Kui and Neaton, Jeffrey and Ong, Shyue Ping and Persson, Kristin and Jain, Anubhav},
abstractNote = {},
doi = {10.1016/j.commatsci.2017.07.030},
journal = {Computational Materials Science},
number = [C],
volume = [139],
place = {Netherlands},
year = {2017},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1016/j.commatsci.2017.07.030

Citation Metrics:
Cited by: 43 works
Citation information provided by
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