Skip to main content
construction release_alert
Scholars@Duke will be undergoing maintenance April 11-15. Some features may be unavailable during this time.
cancel
Journal cover image

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.
Journal cover image

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