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)
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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