Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project
- Author
- ANDRADE, Xavier1 ; ALBERDI-RODRIGUEZ, Joseba2 3 ; RUBIO, Angel2 8 ; MARQUES, Miguel A. L10 9 ; STRUBBE, David A4 5 ; OLIVEIRA, Micael J. T6 ; NOGUEIRA, Fernando6 ; CASTRO, Alberto7 ; MUGUERZA, Javier3 ; ARRUABARRENA, Agustin3 ; LOUIE, Steven G4 5 ; ASPURU-GUZIK, Alán1
[1] Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge, MA 02138, United States
[2] Nano-Bio Spectroscopy Group and ETSF Scientific Development Center, Departamento de Física de Materiales, Centro de Fisica de Materiales CSIC-UPV/EHU and DIPC, University of the Basque Country UPV/EHU, Avenida Tolosa 72, 20018 Donostia/San Sebastián, Spain
[3] Deparment of Computer Architecture and Technology, University of the Basque Country UPV/EHU, M Lardizabal 1, 20018 Donostia/San Sebastián, Spain
[4] Department of Physics, University of California, 366 LeConte Hall MC 7300, Berkeley, CA 94720, United States
[5] Materials Sciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720, United States
[6] Center for Computational Physics, University of Coimbra, Rua Larga, 3 004-516 Coimbra, Portugal
[7] Institute for Biocomputation and Physics of Complex Systems (BIFI), Zaragoza Center for Advanced Modelling (ZCAM), University of Zaragoza, Spain
[8] Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany
[9] Université de Lyon, 69000 Lyon, France
[10] LPMCN, CNRS, UMR 5586, Université Lyon 1, 69622 Villeurbanne, France - Source
Journal of physics. Condensed matter (Print). 2012, Vol 24, Num 23 ; 233202.1-233202.11 ; ref : 78 ref
- CODEN
- JCOMEL
- ISSN
- 0953-8984
- Scientific domain
- Crystallography; Metallurgy, welding; Condensed state physics
- Publisher
- Institute of Physics, Bristol
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Calcul parallèle Dépendance temps Etat excité Etat fondamental Loi échelle Méthode calcul Méthode fonctionnelle densité Optimisation Temps réel
- Keyword (en)
- Parallel computation Time dependence Excited states Ground states Scaling laws Calculation methods Density functional method Optimization Real time
- Keyword (es)
- Cálculo paralelo Tiempo real
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A15 Methods of electronic structure calculations
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 26003339
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1088/0953-8984/24/23/233202 
https://dx.doi.org/10.1088/0953-8984/24/23/233202
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