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

Authors:
; ; ;
Publication Date:
Grant/Contract Number:
AC02-05CH11231; 2015AA01A303; AC05-00OR22725
Type:
Publisher's Accepted Manuscript
Journal Name:
Computer Physics Communications
Additional Journal Information:
Journal Volume: 211; Journal Issue: C; Related Information: CHORUS Timestamp: 2018-07-15 07:23:02; Journal ID: ISSN 0010-4655
Publisher:
Elsevier
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
Netherlands
Language:
English
OSTI Identifier:
1411077