Data-mining-driven quantum mechanics for the prediction of structure
Publication
, Journal Article
Ceder, G; Morgan, D; Fischer, C; Tibbetts, K; Curtarolo, S
Published in: MRS Bulletin
January 1, 2006
The prediction of crystal structure is a key outstanding problem in materials science and one that is fundamental to computational materials design. We argue that by combining the predictive accuracy of quantum mechanics with data mining tools to extract knowledge from a large body of historical experimental or computational results, this problem can be successfully addressed.
Duke Scholars
Published In
MRS Bulletin
DOI
ISSN
0883-7694
Publication Date
January 1, 2006
Volume
31
Issue
12
Start / End Page
981 / 985
Related Subject Headings
- Applied Physics
- 4018 Nanotechnology
- 4016 Materials engineering
- 0913 Mechanical Engineering
- 0912 Materials Engineering
- 0303 Macromolecular and Materials Chemistry
Citation
APA
Chicago
ICMJE
MLA
NLM
Ceder, G., Morgan, D., Fischer, C., Tibbetts, K., & Curtarolo, S. (2006). Data-mining-driven quantum mechanics for the prediction of structure. MRS Bulletin, 31(12), 981–985. https://doi.org/10.1557/mrs2006.224
Ceder, G., D. Morgan, C. Fischer, K. Tibbetts, and S. Curtarolo. “Data-mining-driven quantum mechanics for the prediction of structure.” MRS Bulletin 31, no. 12 (January 1, 2006): 981–85. https://doi.org/10.1557/mrs2006.224.
Ceder G, Morgan D, Fischer C, Tibbetts K, Curtarolo S. Data-mining-driven quantum mechanics for the prediction of structure. MRS Bulletin. 2006 Jan 1;31(12):981–5.
Ceder, G., et al. “Data-mining-driven quantum mechanics for the prediction of structure.” MRS Bulletin, vol. 31, no. 12, Jan. 2006, pp. 981–85. Scopus, doi:10.1557/mrs2006.224.
Ceder G, Morgan D, Fischer C, Tibbetts K, Curtarolo S. Data-mining-driven quantum mechanics for the prediction of structure. MRS Bulletin. 2006 Jan 1;31(12):981–985.
Published In
MRS Bulletin
DOI
ISSN
0883-7694
Publication Date
January 1, 2006
Volume
31
Issue
12
Start / End Page
981 / 985
Related Subject Headings
- Applied Physics
- 4018 Nanotechnology
- 4016 Materials engineering
- 0913 Mechanical Engineering
- 0912 Materials Engineering
- 0303 Macromolecular and Materials Chemistry