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Time Independent 3D Quantum Reactive Scattering on MIMD Parallel Computers

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Recent Advances in Parallel Virtual Machine and Message Passing Interface (EuroPVM/MPI 2000)

Part of the book series: Lecture Notes in Computer Science ((LNCS,volume 1908))

Abstract

An exact three dimensional quantum reactive scattering computational procedure (APH3D) aimed at calculating the reactive probability for atom diatom chemical reactions has been parallelized. Here, we examine the structure of the parallel algorithms developed to achieve high performances on MIMD architectures.

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Author information

Authors and Affiliations

  1. Dipartimento di Chimica, Università di Perugia, via Elce di Sotto, 8, 06123, Perugia, Italy

    Alessandro Bolloni, Stefano Crocchianti & Antonio Laganà

Authors
  1. Alessandro Bolloni
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  2. Stefano Crocchianti
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  3. Antonio Laganà
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Editor information

Editors and Affiliations

  1. Innovative Computing Lab., University of Tennessee, 104 Yres Hall, Knoxville, TN, 37996, USA

    Jack Dongarra

  2. MTA SZTAKI Computer and Automation Research Institute, P.O. Box 63, Budapest, 1518, Hungary

    Peter Kacsuk  & Norbert Podhorszki  & 

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© 2000 Springer-Verlag Berlin Heidelberg

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Bolloni, A., Crocchianti, S., Laganà, A. (2000). Time Independent 3D Quantum Reactive Scattering on MIMD Parallel Computers. In: Dongarra, J., Kacsuk, P., Podhorszki, N. (eds) Recent Advances in Parallel Virtual Machine and Message Passing Interface. EuroPVM/MPI 2000. Lecture Notes in Computer Science, vol 1908. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-45255-9_46

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  • DOI: https://doi.org/10.1007/3-540-45255-9_46

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-41010-2

  • Online ISBN: 978-3-540-45255-3

  • eBook Packages: Springer Book Archive

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