The Computational Materials Repository

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

doi:10.1109/MCSE.2012.16

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 journal › Journal article › Research › peer-review

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.

Original language	English
Journal	Computing in Science & Engineering
Volume	14
Issue number	6
Pages (from-to)	51-57
ISSN	1521-9615
DOIs	https://doi.org/10.1109/MCSE.2012.16
Publication status	Published - 2012

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title = "The Computational Materials Repository",

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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AU - Landis, David D.

AU - Hummelshøj, Jens S.

AU - Nestorov, Svetlozar

AU - Greeley, Jeff

AU - Dulak, Marcin

AU - Bligaard, Thomas

AU - Nørskov, Jens K.

AU - Jacobsen, Karsten W.

PY - 2012

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AB - 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.

U2 - 10.1109/MCSE.2012.16

DO - 10.1109/MCSE.2012.16

M3 - Journal article

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SP - 51

EP - 57

JO - Computing in Science and Engineering

JF - Computing in Science and Engineering

SN - 1521-9615

IS - 6

ER -

The Computational Materials Repository

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