The Computational Materials Repository

David D. Landis(Technical University of Denmark), Jens S. Hummelshøj(Stanford University), Svetlozar Nestorov(University of Chicago), Jeff Greeley(Argonne National Laboratory), Marcin Dułak(Technical University of Denmark), Thomas Bligaard(Stanford University), Jens K. Nørskov(Stanford University), Karsten W. Jacobsen(Technical University of Denmark)
Computing in Science & Engineering
February 1, 2012
Cited by 226

Abstract

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.


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