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dc.contributor.authorDrummond, N. D.
dc.contributor.authorMonserrat, Bartomeu
dc.contributor.authorLloyd-Williams, Jonathan H.
dc.contributor.authorLopez Rios, P.
dc.contributor.authorPickard, Chris J.
dc.contributor.authorNeeds, R. J.
dc.date.accessioned2015-07-08T13:21:15Z
dc.date.available2015-07-08T13:21:15Z
dc.date.issued2015-07-08
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/248864
dc.descriptionThese data support "Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures" published in Nature Communications: http://dx.doi.org/10.1038/ncomms8794en
dc.description.sponsorshipThis work was supported by the EPSRC [grant number EP/K000225/1], the US Department of Energy [grant number DE-AC05-00OR22725], and N8 consortium.en
dc.formatCASTEP files are compatible with CASTEP version 6.11 and later. For information on how to get a copy of CASTEP visit: http://www.castep.org - CASINO files are compatible with CASINO version 2.12 and later. For information on how to get a copy of CASINO visit: http://vallico.net/casinoqmc/ - For information on the CAESAR anharmonic corrections research code email bm418 at cam.ac.uk.en
dc.publisherUniversity of Cambridgeen
dc.rightsAttribution-ShareAlike 2.0 UK: England & Wales*
dc.rights.urihttp://creativecommons.org/licenses/by-sa/2.0/uk/*
dc.subjecthydrogenen
dc.subjectsolid hydrogenen
dc.subjecthigh pressureen
dc.subjectphase diagramen
dc.subjectelectronic structureen
dc.subjectdensity functional theoryen
dc.subjectquantum monte carloen
dc.subjectanharmonicityen
dc.titleData for "Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures"en
dc.typeDataseten
dc.rioxxterms.funderEPSRC
dc.rioxxterms.funderUS Department of Energy
dc.rioxxterms.funderN8 consortium
dc.rioxxterms.projectidEP/K000225/1
dc.rioxxterms.projectidDE-AC05-00OR22725
pubs.declined2017-10-11T13:54:39.222+0100
datacite.issupplementto.doi10.1038/ncomms8794


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Attribution-ShareAlike 2.0 UK: England & Wales
Except where otherwise noted, this item's licence is described as Attribution-ShareAlike 2.0 UK: England & Wales