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Solving dynamic and quantum chemical problems with the help of concurrent processors

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High-Performance Computing and Networking (HPCN-Europe 1994)

Part of the book series: Lecture Notes in Computer Science ((LNCS,volume 796))

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Abstract

The techniques described in this paper can be treated efficiently with parallel computers and can be applied to any problem that requires the treatment of every pair of objects in a molecule or in a unit cell. We have found that the applications of these algorithms to problems involving short- and long-range forces is extremely efficient. This is quite surprising, since the calculations are very communication-intensive. The communication topology is extremely simple. Communications take place concurrently around a ring of processors.

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Author information

Authors and Affiliations

  1. Fachbereich Chemie, Universität Dortmund, D-44221, Dortmund

    P. Bleckmann & F. H. Walter

Authors
  1. P. Bleckmann
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  2. F. H. Walter
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Editor information

Wolfgang Gentzsch Uwe Harms

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© 1994 Springer-Verlag Berlin Heidelberg

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Bleckmann, P., Walter, F.H. (1994). Solving dynamic and quantum chemical problems with the help of concurrent processors. In: Gentzsch, W., Harms, U. (eds) High-Performance Computing and Networking. HPCN-Europe 1994. Lecture Notes in Computer Science, vol 796. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0020374

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  • DOI: https://doi.org/10.1007/BFb0020374

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-57980-9

  • Online ISBN: 978-3-540-48406-6

  • eBook Packages: Springer Book Archive

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