The Computational Materials Repository

David D. Landis, Jens S. Hummelshøj, Svetlozar Nestorov, Jeff Greeley, Marcin Dulak, Thomas Bligaard, Jens K. Nørskov, Karsten W. Jacobsen

Research output: Contribution to journalJournal articleResearchpeer-review


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.
Original languageEnglish
JournalComputing in Science & Engineering
Issue number6
Pages (from-to)51-57
Publication statusPublished - 2012


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