The CECAM electronic structure library and the modular software development paradigm

Oliveira, Micael J. T.; Papior, Nick; Pouillon, Yann; Blum, Volker; Artacho, Emilio; Caliste, Damien; Corsetti, Fabiano; de Gironcoli, Stefano; Elena, Alin M.; Garcia, Alberto; García-Suárez, Victor M.; Genovese, Luigi; Huhn, William P.; Huhs, Georg; Kokott, Sebastian; Kücükbenli, Emine; Larsen, Ask H.; Lazzaro, Alfio; Lebedeva, Irina V.; Yingzhou, Li; Lopéz-Duran, David; López-Tarifa, Pablo; Lüders, Martin; Marquez, Miguel A. L; Minar, J.; Mohr, Stephan; Mostofi, Arash A.; O´Cais, Alan; Payne, Mike C.; Ruh, Thomas; Smith, Daniel G. A.; Soler, José M.; Strubbe, David A.; Tancogne-Dejean, Nicolas; Tildesley, Dominic; Torrent, Marc; Wen-Zhe Yu, Victor

doi:10.1063/5.0012901

DC Field

Value

Language

dc.contributor.author

Oliveira, Micael J. T.

dc.contributor.author

Papior, Nick

dc.contributor.author

Pouillon, Yann

dc.contributor.author

Blum, Volker

dc.contributor.author

Artacho, Emilio

dc.contributor.author

Caliste, Damien

dc.contributor.author

Corsetti, Fabiano

dc.contributor.author

de Gironcoli, Stefano

dc.contributor.author

Elena, Alin M.

dc.contributor.author

Garcia, Alberto

dc.contributor.author

García-Suárez, Victor M.

dc.contributor.author

Genovese, Luigi

dc.contributor.author

Huhn, William P.

dc.contributor.author

Huhs, Georg

dc.contributor.author

Kokott, Sebastian

dc.contributor.author

Kücükbenli, Emine

dc.contributor.author

Larsen, Ask H.

dc.contributor.author

Lazzaro, Alfio

dc.contributor.author

Lebedeva, Irina V.

dc.contributor.author

Yingzhou, Li

dc.contributor.author

Lopéz-Duran, David

dc.contributor.author

López-Tarifa, Pablo

dc.contributor.author

Lüders, Martin

dc.contributor.author

Marquez, Miguel A. L

dc.contributor.author

Minar, J.

dc.contributor.author

Mohr, Stephan

dc.contributor.author

Mostofi, Arash A.

dc.contributor.author

O´Cais, Alan

dc.contributor.author

Payne, Mike C.

dc.contributor.author

Ruh, Thomas

dc.contributor.author

Smith, Daniel G. A.

dc.contributor.author

Soler, José M.

dc.contributor.author

Strubbe, David A.

dc.contributor.author

Tancogne-Dejean, Nicolas

dc.contributor.author

Tildesley, Dominic

dc.contributor.author

Torrent, Marc

dc.contributor.author

Wen-Zhe Yu, Victor

dc.date.accessioned

2023-01-19T13:29:21Z

dc.date.available

2023-01-19T13:29:21Z

dc.date.issued

2020

dc.identifier.citation

<div class="csl-bib-body"> <div class="csl-entry">Oliveira, M. J. T., Papior, N., Pouillon, Y., Blum, V., Artacho, E., Caliste, D., Corsetti, F., de Gironcoli, S., Elena, A. M., Garcia, A., García-Suárez, V. M., Genovese, L., Huhn, W. P., Huhs, G., Kokott, S., Kücükbenli, E., Larsen, A. H., Lazzaro, A., Lebedeva, I. V., … Wen-Zhe Yu, V. (2020). The CECAM electronic structure library and the modular software development paradigm. <i>The Journal of Chemical Physics</i>, <i>153</i>(2), 024117. https://doi.org/10.1063/5.0012901</div> </div>

dc.identifier.issn

0021-9606

dc.identifier.uri

http://hdl.handle.net/20.500.12708/140623

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The Journal of Chemical Physics

dc.subject

General Physics and Astronomy

dc.subject

Physical and Theoretical Chemistry

dc.title

The CECAM electronic structure library and the modular software development paradigm

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Artikel

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Article

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024117

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Original Research Article

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153

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Computational Materials Science

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Quantum Modelling and Simulation

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Materials Characterization

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The Journal of Chemical Physics

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E165-03 - Forschungsbereich Theoretische Chemie

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10.1063/5.0012901

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1089-7690

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