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Methods in Computational Chemistry

Volume 3: Concurrent Computation in Chemical Calculations

  • Book
  • © 1989

Overview

Editors:
  1. Stephen Wilson

    1. Rutherford Appleton Laboratory, Chilton, Oxfordshire, UK

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Table of contents (4 chapters)

  1. Front Matter

    Pages i-xiii
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  2. Parallel Computers and Concurrent Computation in the Chemical Sciences

    • Stephen Wilson
    Pages 1-61

  3. Chemical Calculations on Cray Computers

    • Peter R. Taylor, Charles W. Bauschlicher Jr., David W. Schwenke
    Pages 63-146

  4. Chemical Calculation on Japanese Supercomputers

    • K. Morokuma, U. Nagashima, S. Yamamoto, N. Koga, S. Obara, S. Yabushita
    Pages 147-165

  5. Quantum Chemical Methods for Massively Parallel Computers

    • Michael E. Colvin, Robert A. Whiteside, Henry F. Schaefer III
    Pages 167-237

  6. Back Matter

    Pages 239-247
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Keywords

About this book

Recent years have seen the proliferation of new computer designs that employ parallel processing in one form or another in order to achieve maximum performance. Although the idea of improving the performance of computing machines by carrying out parts of the computation concurrently is not new (indeed, the concept was known to Babbage ), such machines have, until fairly recently, been confined to a few specialist research laboratories. Nowadays, parallel computers are commercially available and they are finding a wide range of applications in chemical calculations. The purpose of this volume is to review the impact that the advent of concurrent computation is already having, and is likely to have in the future, on chemical calculations. Although the potential of concurrent computation is still far from its full realization, it is already clear that it may turn out to be second in importance only to the introduction of the electronic digital computer itself.

Editors and Affiliations

  • Rutherford Appleton Laboratory, Chilton, Oxfordshire, UK

    Stephen Wilson

Bibliographic Information

  • Book Title: Methods in Computational Chemistry

  • Book Subtitle: Volume 3: Concurrent Computation in Chemical Calculations

  • Editors: Stephen Wilson

  • DOI: https://doi.org/10.1007/978-1-4615-7416-3

  • Publisher: Springer New York, NY

  • eBook Packages: Springer Book Archive

  • Copyright Information: Springer Science+Business Media New York 1989

  • Hardcover ISBN: 978-0-306-43315-3Due: 31 January 1990

  • Softcover ISBN: 978-1-4615-7418-7Published: 06 December 2013

  • eBook ISBN: 978-1-4615-7416-3Published: 01 December 2013

  • Edition Number: 1

  • Number of Pages: XIII, 247

  • Number of Illustrations: 50 b/w illustrations

  • Topics: Documentation and Information in Chemistry, Atomic, Molecular, Optical and Plasma Physics, Computing Milieux

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