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Title: GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations

Authors:
; ; ;
Publication Date:
Type:
Publisher's Accepted Manuscript
Journal Name:
Computer Physics Communications
Additional Journal Information:
Journal Volume: 211; Journal Issue: C; Related Information: CHORUS Timestamp: 2018-09-10 12:29:05; Journal ID: ISSN 0010-4655
Publisher:
Elsevier
Sponsoring Org:
USDOE
Country of Publication:
Netherlands
Language:
English
OSTI Identifier:
1411077

Jia, Weile, Wang, Jue, Chi, Xuebin, and Wang, Lin-Wang. GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations. Netherlands: N. p., Web. doi:10.1016/j.cpc.2016.07.003.
Jia, Weile, Wang, Jue, Chi, Xuebin, & Wang, Lin-Wang. GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations. Netherlands. doi:10.1016/j.cpc.2016.07.003.
Jia, Weile, Wang, Jue, Chi, Xuebin, and Wang, Lin-Wang. 2017. "GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations". Netherlands. doi:10.1016/j.cpc.2016.07.003.
@article{osti_1411077,
title = {GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations},
author = {Jia, Weile and Wang, Jue and Chi, Xuebin and Wang, Lin-Wang},
abstractNote = {},
doi = {10.1016/j.cpc.2016.07.003},
journal = {Computer Physics Communications},
number = C,
volume = 211,
place = {Netherlands},
year = {2017},
month = {2}
}