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The Computational Materials Repository

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8 Author(s)
Landis, D.D. ; Tech. Univ. of Denmark, Lyngby, Denmark ; Hummelshøj, J.S. ; Nestorov, S. ; Greeley, J.
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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.

Published in:

Computing in Science & Engineering  (Volume:14 ,  Issue: 6 )