The high-throughput highway to computational materials design
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 201Download Item:
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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.
Sponsor
Grant Number
Science Foundation Ireland (SFI)
G20348
Author's Homepage:
http://people.tcd.ie/sanvitosDescription:
PUBLISHED
Author: SANVITO, STEFANO
Type of material:
Journal ArticleCollections:
Series/Report no:
Nature Materials12
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Full text availableKeywords:
Computation, modelling and theory, Metals and alloys, Materials for energy, SemiconductorsSubject (TCD):
Nanoscience & MaterialsDOI:
http://dx.doi.org/http//10.1038/nmat3568Licences: