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Supercomputer and Chemistry

IABG Workshop 1989

  • Conference proceedings
  • © 1990

Overview

Editors:
  1. Uwe Harms

    1. debis Systemhaus GmbH, LRZ Ottobrunn, Ottobrunn, Federal Republic of Germany

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Table of contents (11 papers)

  1. Front Matter

    Pages i-vii
    Download chapter PDF

  2. Supercomputers — The Situation Today

    • U. Harms
    Pages 1-9

  3. Graphic Supercomputing on the Ardent and Stellar Graphics Supercomputers

    • W. Gentzsch
    Pages 11-26

  4. Transputer — A General Survey

    • Gerd Häußler, Markus Grüner
    Pages 27-43

  5. Transputers in Technical Applications

    • Siegfried Streitz
    Pages 45-49

  6. Quantum Chemical Calculations on MIMD Type Computers

    • U. Wedig, A. Burkhardt, H. G. v. Schnering
    Pages 51-67

  7. Parallelizing an SCF program on SUPRENUM

    • Ulrich Meier, Reiner Vogelsang
    Pages 69-88

  8. Drug Design: A Combination of Experiment and Computational Chemistry

    • H. P. Weber
    Pages 89-90

  9. Conformational Analysis of Peptides Using Molecular Dynamics

    • G. Barnickel, E. Merck
    Pages 91-98

  10. The Use of Supercomputers in Medicinal Chemistry Examples from Peptide and Protein Projects

    • H. Köppen
    Pages 99-113

  11. Local Density Functional Calculations on Properties of Large Molecules

    • B. Delley
    Pages 115-125

  12. Density Functional Calculations with Simulated Annealing — New Perspectives for Molecular Calculations

    • R. O. Jones, D. Hohl
    Pages 127-142
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Editors and Affiliations

  • debis Systemhaus GmbH, LRZ Ottobrunn, Ottobrunn, Federal Republic of Germany

    Uwe Harms

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