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The Computational Materials Repository
Nov.-Dec. 2012 (vol. 14 no. 6)
pp. 51-57
David D. Landis, Technical University of Denmark
Jens S. Hummelshøj, SLAC National Accelerator Laboratory and Stanford University
Svetlozar Nestorov, University of Chicago
Jeff Greeley, Argonne National Laboratory
Marcin Dułak, Technical University of Denmark
Thomas Bligaard, SLAC National Accelerator Laboratory and Stanford University
Jens K. Nørskov, SLAC National Accelerator Laboratory and Stanford University
Karsten W. Jacobsen, Technical University of Denmark
The possibilities for designing new materials based on quantum physics calculations are rapidly growing, but these design efforts lead to a significant increase in the amount of computational data created. The Computational Materials Repository (CMR) addresses this data challenge and provides a software infrastructure that supports the collection, storage, retrieval, analysis, and sharing of data produced by many electronic-structure simulators.
Index Terms:
Databases,Materials,Graphical user interfaces,Surface cleaning,Writing,Taxonomy,HTML,scientific computing,storage repositories,information storage and retrieval,information filtering,information search and retrieval
Citation:
David D. Landis, Jens S. Hummelshøj, Svetlozar Nestorov, Jeff Greeley, Marcin Dułak, Thomas Bligaard, Jens K. Nørskov, Karsten W. Jacobsen, "The Computational Materials Repository," Computing in Science and Engineering, vol. 14, no. 6, pp. 51-57, Nov.-Dec. 2012, doi:10.1109/MCSE.2012.16
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