QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials (Articolo in rivista)

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Label
  • QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials (Articolo in rivista) (literal)
Anno
  • 2009-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1088/0953-8984/21/39/395502 (literal)
Alternative label
  • P. Giannozzi; S. Baroni; N. Bonini; M. Calandra; R. Car; C. Cavazzoni; D. Ceresoli; G. L. Chiarotti; M. Cococcioni; I. Dabo; A. Dal Corso; S. Fabris; G. Fratesi; S. de Gironcoli; R. Gebauer; U. Gerstmann; C. Gougoussis; A. Kokalj; M. Lazzeri; L. Martin-Samos; N. Marzari; F. Mauri; R. Mazzarello; S. Paolini; A. Pasquarello; L. Paulatto; C. Sbraccia; S. Scandolo; G. Sclauzero; A. P. Seitsonen; A. Smogunov; P. Umari; R. M. Wentzcovitch (2009)
    QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials
    in Journal of physics. Condensed matter (Online)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • P. Giannozzi; S. Baroni; N. Bonini; M. Calandra; R. Car; C. Cavazzoni; D. Ceresoli; G. L. Chiarotti; M. Cococcioni; I. Dabo; A. Dal Corso; S. Fabris; G. Fratesi; S. de Gironcoli; R. Gebauer; U. Gerstmann; C. Gougoussis; A. Kokalj; M. Lazzeri; L. Martin-Samos; N. Marzari; F. Mauri; R. Mazzarello; S. Paolini; A. Pasquarello; L. Paulatto; C. Sbraccia; S. Scandolo; G. Sclauzero; A. P. Seitsonen; A. Smogunov; P. Umari; R. M. Wentzcovitch (literal)
Pagina inizio
  • 395502 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://dx.doi.org/10.1088/0953-8984/21/39/395502 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 21 (literal)
Rivista
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  • 19 (literal)
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  • ISI Web of Science (WOS) (literal)
  • Scopu (literal)
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  • CNR-INFM Democritos National Simulation Center, 34100 Trieste, Italy Dipartimento di Fisica, Universit Degli Studi di Udine, via delle Scienze 208, 33100 Udine, Italy SISSA - Scuola Internazionale Superiore di Studi Avanzati, Via Beirut 2-4, 34151 Trieste Grignano, Italy Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, United States Institut de Minéralogie et de Physique des Milieux Condensés, Université Pierre et Marie Curie, CNRS, IPGP, 140 rue de Lourmel, 75015 Paris, France Department of Chemistry, Princeton University, Princeton, NJ 08544, United States CINECA National Supercomputing Center, Casalecchio di Reno, 40033 Bologna, Italy CNR-INFM S3 Research Center, 41100 Modena, Italy SPIN S.r.l., via del Follatoio 12, 34148 Trieste, Italy Department of Chemical Engineering and Materials Science, University of Minnesota, 151 Amundson Hall, 421 Washington Avenue SE, Minneapolis, MN 55455, United States Université Paris-Est, CERMICS, Projet Micmac ENPC-INRIA, 6-8 avenue Blaise Pascal, 77455 Marne-la-Vallée Cedex 2, France Dipartimento di Scienza Dei Materiali, Universit Degli Studi di Milano-Bicocca, via Cozzi 53, 20125 Milano, Italy Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, 34151 Trieste Grignano, Italy Theoretische Physik, Universität Paderborn, D-33098 Paderborn, Germany Joef Stefan Institute, Jamova 39, SI-1000 Ljubljana, Slovenia Computational Science, Department of Chemistry and Applied Biosciences, ETH Zurich, USI Campus, via Giuseppe Buffi 13, CH-6900 Lugano, Switzerland Ecole Polytechnique Fédérale de Lausanne (EPFL), Institute of Theoretical Physics, CH-1015 Lausanne, Switzerland Institut Romand de Recherche Numérique en Physique des Matériaux (IRRMA), CH-1015 Lausanne, Switzerland Minnesota Supercomputing Institute for Advanced Computational Research, University of Minnesota, Minneapolis, MN 55455, United States Constellation Energy Commodities Group, 61 Aldwich, London, WC2B 4AE, United Kingdom (literal)
Titolo
  • QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials (literal)
Abstract
  • QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). The acronym ESPRESSO stands for opEn Source Package for Research in Electronic Structure, Simulation, and Optimization. It is freely available to researchers around the world under the terms of the GNU General Public License. QUANTUM ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively parallel architectures, and a great effort being devoted to user friendliness. QUANTUM ESPRESSO is evolving towards a distribution of independent and interoperable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes. (literal)
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