dc.contributor.author | SANVITO, STEFANO | en |
dc.date.accessioned | 2015-01-12T15:51:20Z | |
dc.date.available | 2015-01-12T15:51:20Z | |
dc.date.issued | 2013 | en |
dc.date.submitted | 2013 | en |
dc.identifier.citation | Stefano 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, 191 201 | en |
dc.identifier.other | Y | en |
dc.description | PUBLISHED | en |
dc.description.abstract | High-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.extent | 191-201 | en |
dc.language.iso | en | en |
dc.relation.ispartofseries | Nature Materials | en |
dc.relation.ispartofseries | 12 | en |
dc.rights | Y | en |
dc.subject | Computation | en |
dc.subject | modelling and theory | en |
dc.subject | Metals and alloys | en |
dc.subject | Materials for energy | en |
dc.subject | Semiconductors | en |
dc.title | The high-throughput highway to computational materials design | en |
dc.type | Journal Article | en |
dc.type.supercollection | scholarly_publications | en |
dc.type.supercollection | refereed_publications | en |
dc.identifier.peoplefinderurl | http://people.tcd.ie/sanvitos | en |
dc.identifier.rssinternalid | 84404 | en |
dc.identifier.doi | http://dx.doi.org/http//10.1038/nmat3568 | en |
dc.rights.ecaccessrights | openAccess | |
dc.subject.TCDTheme | Nanoscience & Materials | en |
dc.identifier.rssuri | http://www.nature.com/nmat/journal/v12/n3/full/nmat3568.html | en |
dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
dc.contributor.sponsorGrantNumber | G20348 | en |
dc.identifier.uri | http://hdl.handle.net/2262/72989 | |