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International Conference on Computational Science and Its Applications

ICCSA 2012: Computational Science and Its Applications – ICCSA 2012 pp 292–303Cite as

Quantum Reactive Scattering Calculations on GPU

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Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 7333))

Abstract

An atom diatom time dependent reactive scattering code has been implemented on a platform made of a CPU and a GPU. The detailed analysis of the implemented code led to its restructuring to exploit the architectural features of graphic processors. Resulting gains of efficiency of the code when used for a prototype case study are compared.

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Author information

Authors and Affiliations

  1. Department of Chemistry, University of Perugia, via Elce di Sotto, 8, 06123, Perugia, Italy

    Leonardo Pacifici & Antonio Laganà

  2. Department of Mathematics and Informatics, University of Perugia, via Vanvitelli, 1, 06123, Perugia, Italy

    Danilo Nalli

Authors
  1. Leonardo Pacifici
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  2. Danilo Nalli
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  3. Antonio Laganà
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Editor information

Editors and Affiliations

  1. Laboratory of Urban and Territorial Systems, University of Basilicata, 10, Viale dell’Ateneo Lucano, 85100, Potenza, Italy

    Beniamino Murgante

  2. Department of Mathematics and Computer Science, University of Perugia, Via Vanvitelli 1, 06123, Perugia, Italy

    Osvaldo Gervasi

  3. Department of Cyber Security Science, Federal University of Technology, Gidan Kwano Campus, Minna, Nigeria

    Sanjay Misra

  4. Faculty of Engineering, Department of Electronics Engineering and Telecommunications, State University of Rio de Janeiro, Rua Sao Francisco Xavier, 524, 50. andar, sala 5145-F, Maracana, 20, 550-013, Rio de Janeiro, RJ, Brazil

    Nadia Nedjah

  5. Department of Production and Systems, University of Minho, Campus de Gualtar, 4710-057, Braga, Portugal

    Ana Maria A. C. Rocha

  6. School of Business Systems, Monash University, 3800, Clayton, VIC, Australia

    David Taniar

  7. Department of Intelligent Informatics, Kyushu Sangyo University, 2-3-1 Matsukadai, Higashi-ku, 813-8503, Fukuoka, Japan

    Bernady O. Apduhan

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© 2012 Springer-Verlag Berlin Heidelberg

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Pacifici, L., Nalli, D., Laganà, A. (2012). Quantum Reactive Scattering Calculations on GPU. In: Murgante, B., et al. Computational Science and Its Applications – ICCSA 2012. ICCSA 2012. Lecture Notes in Computer Science, vol 7333. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-31125-3_23

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  • DOI: https://doi.org/10.1007/978-3-642-31125-3_23

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-31124-6

  • Online ISBN: 978-3-642-31125-3

  • eBook Packages: Computer ScienceComputer Science (R0)

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