High Performance Computing in Science and Engineering ' 06

1. Front Matter

   Pages I-X

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2. Physics

   1. Front Matter

      Pages 1-2

      PDF

   2. Gravitational Wave Signals from Simulations of Black Hole Dynamics

      • Bernd Brügmann, Jose Gonzalez, Mark Hannam, Sascha Husa, Pedro Marronetti, Ulrich Sperhake et al.

      Pages 3-17

   3. The SuperN-Project: Understanding Core Collapse Supernovae

      • A. Marek, K. Kifonidis, H. -Th. Janka, B. Müller

      Pages 19-33

   4. MHD Code Optimizations and Jets in Dense Gaseous Halos

      • Volker Gaibler, Matthias Vigelius, Martin Krause, Max Camenzind

      Pages 35-48

   5. Anomalous Water Optical Absorption: Large-Scale First-Principles Simulations

      • W. G. Schmidt, S. Blankenburg, S. Wippermann, A. Hermann, P. H. Hahn, M. Preuss et al.

      Pages 49-58

   6. The Electronic Structures of Nanosystems: Calculating the Ground States of Sodium Nanoclusters and the Actuation of Carbon Nanotubes

      • B. Huber, L. Pastewka, P. Koskinen, M. Moseler

      Pages 59-67

   7. Object-Oriented SPH-Simulations with Surface Tension

      • S. Ganzenmüller, A. Nagel, S. Holtwick, W. Rosenstiel, H. Ruder

      Pages 69-82

   8. Simulations of Particle Suspensions at the Institute for Computational Physics

      • Jens Harting, Martin Hecht, Hans Herrmann

      Pages 83-92

3. Solid State Physics

   1. Front Matter

      Pages 93-95

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   2. Nano-Systems in External Fields and Reduced Geometry: Numerical Investigations

      • P. Henseler, C. Schieback, K. Franzrahe, F. Bürzle, M. Dreher, J. Neder et al.

      Pages 97-112

   3. Signal Transport and Finite Bias Conductance in and Through Correlated Nanostructures

      • Peter Schmitteckert, Günter Schneider

      Pages 113-126

   4. Atomistic Simulations of Dislocation — Crack Interaction

      • Erik Bitzek, Peter Gumbsch

      Pages 127-135

   5. Monte Carlo Simulations of Strongly Correlated and Frustrated Quantum Systems

      • C. Lavalle, S. R. Manmana, S. Wessel, A. Muramatsu

      Pages 137-151

4. Chemistry

   1. Front Matter

      Pages 153-154

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   2. Characterization of Catalyst Surfaces by STM Image Calculations

      • Roman Kovacik, Bernd Meyer, Dominik Marx

      Pages 155-170

   3. Theoretical Investigation of the Self-Diffusion on Au(100)

      • K. Pötting, T. Jacob, W. Schmickler

      Pages 171-185

   4. TrpAQP: Computer Simulations to Determine the Selectivity of Aquaporins

      • M. Dynowski, U. Ludewig

      Pages 187-197

5. Computational Fluid Dynamics

   1. Front Matter

      Pages 199-203

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   2. Direct Numerical Simulation and Analysis of the Flow Field Around a Swept Laminar Separation Bubble

      • Tilman Hetsch, Ulrich Rist

      Pages 205-221

The last two years have been great for high performance computing in Baden- W¨ urttemberg and beyond. In July 2005, the new building for HLRS as well as Stuttgart’s new NEC supercomputer – which is still leading edge in G- many – have been inaugurated. In these days, the SSC Karlsruhe is ?nalizing the installation of a very large high performance system complex from HP, built from hundreds of Intel Itanium processors and more than three th- sand AMD Opteron cores. Additionally, the fast network connection – with a bandwidth of 40Gbit/s and thus one of the ?rst installations of this kind in Germany – brings the machine rooms of HLRS and SSC Karlsruhe very close together. With the investment of more than 60 Million Euro, we – as the users of such a valuable infrastructure – are not only thankful to science managers and politicians, but also to the people running these components as part of their daily business, on a 24-7 level. Sinceabout18months,therearelotsofactivitiesonallscienti?c,advisory, and political levels to decide if Germany will install an even larger European supercomputer, where the hardware costs alone will be around 200 Million Euro for a ?ve year period. There are many good reasons to invest in such a program because – beyond the infrastructure – such a scienti?c research tool will attract the best brains to tackle the problems related to the software and methodology challenges.

• Computer
• Potential
• Supercomputer
• Usability
• calculus
• computational science and engineering
• computer science
• high performance computing
• modeling
• modelling
• optimization
• processor
• simulation
• vector supercomputers

• Zentrum für Informationsdienste und Hochleistungsrechnen (ZIH), Technische Universität Dresden, Dresden, Germany

  Wolfgang E. Nagel

• Interdisziplinäres Zentrum für Wissenschaftliches Rechnen (IWR), Universität Heidelberg, Heidelberg, Germany

  Willi Jäger

• Höchstleistungsrechenzentrum Stuttgart (HLRS), Universität Stuttgart, Stuttgart, Germany

  Michael Resch

Policies and ethics