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Persistent URL	http://purl.org/net/epubs/work/46387496
Record Status	Checked
Record Id	46387496
Title	The ONETEP linear-scaling density functional theory program
Contributors	JCA Prentice, J Aarons, JC Womack, AEA Allen, L Andrinopoulos, L Anton, RA Bell, A Bhandari, GA Bramley, RJ Charlton, RJ Clements, DJ Cole, G Constantinescu, F Corsetti, SM Dubois, KKB Duff, JM Escartín, A Greco, Q Hill, LP Lee, E Linscott, DD O’Regan, MJS Phipps, LE Ratcliff, ÁR Serrano, EW Tait, G Teobaldi (STFC Rutherford Appleton Lab., and Univ. Southampton), V Vitale, N Yeung, TJ Zuehlsdorff, J Dziedzic, PD Haynes, NDM Hine, AA Mostofi, MC Payne, C Skylaris
Abstract
Organisation	STFC , SCI-COMP
Keywords
Funding Information	ARCHER UK National Supercomputing Service (eCSE01-004); ARCHER UK National Supercomputing Service (eCSE07-006); ARCHER UK National Supercomputing Service (eCSE08-15); ARCHER UK National Supercomputing Service (eCSE02-15); Faraday Institution (FIRG003); Royal Society (IE131505); SFI (SFI/12/RC/2278); TYC (TYC-101); St. Edmund Hall, University of Oxford; NUI; EPSRC (EP/P022030/1); EPSRC (EP/L000202/1); EPSRC (EP/R029431/1); EPSRC (EP/P020232/1); EPSRC (EP/P020194/1); EPSRC (EP/P02209X/1); EPSRC (EP/F010974/1); EPSRC (EP/G05567X/1); EPSRC (EP/J015059/1); EPSRC (EP/P034616/1); EPSRC (EP/G036888/1); EPSRC (EP/S025324/1); EPSRC (EP/J017639/1); EPSRC (EP/I004483/1); EPSRC (EP/P022189/1); EPSRC (EP/P022189/2); EPSRC (EP/L015579/1); EPSRC (EP/L015552/1); EPSRC (EP/G037221/1); EPSRC (EP/P01139X/1); EPSRC (EP/R010153/1); EPSRC (EP/L015382/1); EPSRC (EP/S003053/1); EPSRC (EP/F038038/1); EPSRC (EP/G03690X/1); EPSRC (EP/L000202/1); Ministerio de Ciencia, Innovación y Universidades (MDM-2017-0767); BBSRC; PNNL; RIA (IE131505); BIPI
Related Research Object(s):
Licence Information:
Language	English (EN)

Type	Details	URI(s)	Local file(s)	Year
Journal Article	J Chem Phys 152, no. 17 (2020): 174111.	doi:10.1063/5.0004445		2020