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dc.contributor.authorSANVITO, STEFANOen
dc.date.accessioned2015-01-12T15:51:20Z
dc.date.available2015-01-12T15:51:20Z
dc.date.issued2013en
dc.date.submitted2013en
dc.identifier.citationStefano Curtarolo, Gus L. W. Hart, Marco Buongiorno Nardelli, Natalio Mingo, Stefano Sanvito and Ohad Levy, The high-throughput highway to computational materials design, Nature Materials, 12, 2013, 191 201en
dc.identifier.otherYen
dc.identifier.urihttp://hdl.handle.net/2262/72989
dc.descriptionPUBLISHEDen
dc.description.abstractHigh-throughput computational materials design is an emerging area of materials science. By combining advanced thermodynamic and electronic-structure methods with intelligent data mining and database construction, and exploiting the power of current supercomputer architectures, scientists generate, manage and analyse enormous data repositories for the discovery of novel materials. In this Review we provide a current snapshot of this rapidly evolving field, and highlight the challenges and opportunities that lie ahead.en
dc.format.extent191-201en
dc.language.isoenen
dc.relation.ispartofseriesNature Materialsen
dc.relation.ispartofseries12en
dc.rightsYen
dc.subjectComputationen
dc.subjectmodelling and theoryen
dc.subjectMetals and alloysen
dc.subjectMaterials for energyen
dc.subjectSemiconductorsen
dc.titleThe high-throughput highway to computational materials designen
dc.typeJournal Articleen
dc.contributor.sponsorScience Foundation Ireland (SFI)en
dc.type.supercollectionscholarly_publicationsen
dc.type.supercollectionrefereed_publicationsen
dc.identifier.peoplefinderurlhttp://people.tcd.ie/sanvitosen
dc.identifier.rssinternalid84404en
dc.identifier.doihttp://dx.doi.org/http//10.1038/nmat3568en
dc.rights.ecaccessrightsopenAccess
dc.contributor.sponsorGrantNumberG20348en
dc.subject.TCDThemeNanoscience & Materialsen
dc.identifier.rssurihttp://www.nature.com/nmat/journal/v12/n3/full/nmat3568.htmlen


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