The high-throughput highway to computational materials design.
Publication
, Journal Article
Curtarolo, S; Hart, GLW; Nardelli, MB; Mingo, N; Sanvito, S; Levy, O
Published in: Nature materials
March 2013
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.
Duke Scholars
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Published In
Nature materials
DOI
EISSN
1476-4660
ISSN
1476-1122
Publication Date
March 2013
Volume
12
Issue
3
Start / End Page
191 / 201
Related Subject Headings
- Nanoscience & Nanotechnology
Citation
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Curtarolo, S., Hart, G. L. W., Nardelli, M. B., Mingo, N., Sanvito, S., & Levy, O. (2013). The high-throughput highway to computational materials design. Nature Materials, 12(3), 191–201. https://doi.org/10.1038/nmat3568
Curtarolo, Stefano, 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, no. 3 (March 2013): 191–201. https://doi.org/10.1038/nmat3568.
Curtarolo S, Hart GLW, Nardelli MB, Mingo N, Sanvito S, Levy O. The high-throughput highway to computational materials design. Nature materials. 2013 Mar;12(3):191–201.
Curtarolo, Stefano, et al. “The high-throughput highway to computational materials design.” Nature Materials, vol. 12, no. 3, Mar. 2013, pp. 191–201. Epmc, doi:10.1038/nmat3568.
Curtarolo S, Hart GLW, Nardelli MB, Mingo N, Sanvito S, Levy O. The high-throughput highway to computational materials design. Nature materials. 2013 Mar;12(3):191–201.
Published In
Nature materials
DOI
EISSN
1476-4660
ISSN
1476-1122
Publication Date
March 2013
Volume
12
Issue
3
Start / End Page
191 / 201
Related Subject Headings
- Nanoscience & Nanotechnology