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High Performance Computing in Science and Engineering ’99

Transactions of the High Performance Computing Center Stuttgart (HLRS) 1999

  • Conference proceedings
  • © 2000

Overview

Editors:
  1. Egon Krause

    1. Aerodynamisches Institut, RWTH Aachen, Aachen, Germany

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  2. Willi Jäger

    1. Interdisziplinäres Zentrum für Wissenschaftliches Rechnen, Universität Heidelberg, Heidelberg, Germany

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  • This book covers the most significant CSE projects at HLRS Stuttgart, a major supercomputing center in Germany.

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Table of contents (49 papers)

  1. Front Matter

    Pages I-XIII
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  2. Physics

    • Werner Hanke, Hans Ruder
    Pages 1-2

  3. Finite difference modelling of elastic wave propagation in the Earth’s uppermost mantle

    • Trond Ryberg, Marc Tittgemeyer, Friedemann Wenzel
    Pages 3-12

  4. Direct Simulation of Seismic Wave Propagation

    • Martin Karrenbach
    Pages 13-25

  5. Summary of Project 11172

    • Erik H. Saenger, Peter Hubral, Andreas Kirchner, Kai-Uwe Vieth, Tobias Müller, Serge A. Shapiro
    Pages 26-26

  6. Development and Astrophysical Applications of a Parallel Smoothed Particle Hydrodynamics Code with MPI

    • Stefan Kunze, Erik Schnetter, Roland Speith
    Pages 52-61

  7. Collisional dynamics around black hole binaries in galactic centres

    • Marc Hemsendorf
    Pages 62-71

  8. IMD — A Massively Parallel Molecular Dynamics Package for Classical Simulations in Condensed Matter Physics

    • Johannes Roth, Jörg Stadler, Marco Brunelli, Dietmar Bunz, Franz Gähler, Jutta Hahn et al.
    Pages 72-81

  9. Symmetric diblock copolymers confined into thin films: A Monte Carlo investigation on the CRAY T3E

    • T. Geisinger, M. Müller, K. Binder
    Pages 82-91

  10. Molecular Dynamics of Covalent Crystals

    • J. Hahn, H.-R. Trebin
    Pages 92-99

  11. Simulation of random copolymers at selective interfaces and of cross-linked polymer blends

    • Jens-Uwe Sommer, Stefan Lay, Alexander Blumen
    Pages 100-111

  12. Towards the Limits of present-day Supercomputers: Exact Diagonalization of Strongly Correlated Electron-Phonon Systems

    • Gerhard Wellein, Holger Fehske
    Pages 112-129

  13. The Metal-Insulator Transition in the Hubbard Model

    • M. G. Zacher, A. Dorneich, C. Gröber, R. Eder, W. Hanke
    Pages 130-148

  14. Vibronic studies of adsorbate-covered semiconductor surfaces with the help of HPC

    • Ulrich Freking, Albert Mazur, Johannes Pollmann
    Pages 149-162

  15. Computational Methods in Chemistry and Molecular Biology

    • Bernd Artur Hess
    Pages 163-164

  16. The multi-reference configuration interaction method on massively parallel architectures

    • P. Stampfuß, W. Wenzel
    Pages 165-182

  17. Quantum Chemical Studies on Heterocyclic Rearrangements in Benzofuroxans: Reaction Paths, Vibrational Spectra, and Rate Constants

    • Guntram Rauhut, Frank Eckert
    Pages 183-193

  18. High Level Quantum-Chemical Computations on the Cyclizations of Enyne Allenes

    • Matthias Prall, Peter R. Schreiner
    Pages 194-211

  19. MD Simulation of a Phospholipid Bilayer

    • Ralf Schmelter, Alfons Geiger
    Pages 212-228

  20. Three-Dimensional Organization of Chromosome Territories and the Human Cell Nucleus

    • Tobias A. Knoch, Christian Münkel, Jörg Langowski
    Pages 229-238
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About this book

The book contains reports about the most significant projects from science and engineering of the Federal High Performance Computing Center Stuttgart (HLRS). They were carefully selected in a peer-review process and are showcases of an innovative combination of state-of-the-art modeling, novel algorithms and the use of leading-edge parallel computer technology. The projects of HLRS are using supercomputer systems operated jointly by university and industry and therefore a special emphasis has been put on the industrial relevance of results and methods.

Editors and Affiliations

  • Aerodynamisches Institut, RWTH Aachen, Aachen, Germany

    Egon Krause

  • Interdisziplinäres Zentrum für Wissenschaftliches Rechnen, Universität Heidelberg, Heidelberg, Germany

    Willi Jäger

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