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

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 languageEnglish
JournalComputing in Science & Engineering
Volume14
Issue number6
Pages (from-to)51-57
ISSN1521-9615
DOIs
Publication statusPublished - 2012

Cite this

Landis, D. D., Hummelshøj, J. S., Nestorov, S., Greeley, J., Dulak, M., Bligaard, T., ... Jacobsen, K. W. (2012). The Computational Materials Repository. Computing in Science & Engineering, 14(6), 51-57. https://doi.org/10.1109/MCSE.2012.16
Landis, David D. ; Hummelshøj, Jens S. ; Nestorov, Svetlozar ; Greeley, Jeff ; Dulak, Marcin ; Bligaard, Thomas ; Nørskov, Jens K. ; Jacobsen, Karsten W. / The Computational Materials Repository. In: Computing in Science & Engineering. 2012 ; Vol. 14, No. 6. pp. 51-57.
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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.",
author = "Landis, {David D.} and Hummelsh{\o}j, {Jens S.} and Svetlozar Nestorov and Jeff Greeley and Marcin Dulak and Thomas Bligaard and N{\o}rskov, {Jens K.} and Jacobsen, {Karsten W.}",
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Landis, DD, Hummelshøj, JS, Nestorov, S, Greeley, J, Dulak, M, Bligaard, T, Nørskov, JK & Jacobsen, KW 2012, 'The Computational Materials Repository', Computing in Science & Engineering, vol. 14, no. 6, pp. 51-57. https://doi.org/10.1109/MCSE.2012.16

The Computational Materials Repository. / Landis, David D.; Hummelshøj, Jens S.; Nestorov, Svetlozar; Greeley, Jeff; Dulak, Marcin; Bligaard, Thomas; Nørskov, Jens K.; Jacobsen, Karsten W.

In: Computing in Science & Engineering, Vol. 14, No. 6, 2012, p. 51-57.

Research output: Contribution to journalJournal articleResearchpeer-review

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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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N2 - 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.

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

VL - 14

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EP - 57

JO - Computing in Science & Engineering

JF - Computing in Science & Engineering

SN - 1521-9615

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Landis DD, Hummelshøj JS, Nestorov S, Greeley J, Dulak M, Bligaard T et al. The Computational Materials Repository. Computing in Science & Engineering. 2012;14(6):51-57. https://doi.org/10.1109/MCSE.2012.16