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High Performance Computing in Science & Engineering 2003

The 6th Results and Review Workshop of the HLRS, October 6-7, 2003
at the Institut für Mikroelektronik Stuttgart (IMS), Allmandring 30a, 70569 Stuttgart

Agenda

Monday, October 6th, 2003

9:00 Opening
Prof. Dr. Egon Krause (Chairman of the Steering Committee of HLRS)

Session 1: CFD
Chairman: Prof. Dr.-Ing. Siegfried Wagner, Universität Stuttgart

9:15 3D Simulations of Supersonic Reacting Flows
Gerlinger / Schneider
VT, DLR

9:40 Rayleigh-Bénard convection at large aspect ratios
T. Hartlep and A. Tilgner
Institute of Geophysics, University of Göttingen

10:05 Fully Three Dimensional Coupling of Fluid and Thin-Walled Structures
Dominik Scholz, Ernst Rank, Markus Glück, Michael Breuer, Franz Durst
Lehrstuhl für Bauinformatik, TU München; Lehrstuhl für Strömungsmechanik, Universität Erlangen-Nürnberg

10:30 Break

Session 2: Solid State Physics
Chairman: Prof. Dr. Werner Hanke, Universität Würzburg

11:00 Ab initio simulation of clusters
Moseler, Huber, Häkkinen, Landman
Faculty of Physics, University of Freiburg

11:25 Quantum Monte-Carlo simulations of correlated bosonic and fermionic systems
C. Lavalle, M. Rigol, M. Feldbacher, M. Arikawa, F. F Assaad and A. Muramatsu
Institut für Theoretische Physik III, Universität Stuttgart

11:50 Numerical Studies of Collective Effects in Nano-Systems
P.Nielaba et al.
Physics Department (Theory), University of Konstanz

12:15 Lunch

Session 3: Earth Sciences
Chairman: Prof. Dr. Franz Fiedler, Universität Karlsruhe

13:15 High Resolution Climate Change Simulation for Central Europe
Klaus Keuler, Alexander Block, Eberhard Schaller
Lehrstuhl für Umweltmeteorologie, Brandenburgische Technische Universität (BTU) Cottbus

13:40 High-Resolution Studies of Transport Processes in the Atmospheric Boundary Layer
Tijana Janjic and Volker Wulfmeyer
School of Engineering and Science, International University Bremen

14:05 Viscosity stratification and a 3-D compressible spherical shell model of mantle evolution
Uwe Walzer, Roland Hendel, John Baumgardner
Institut für Geowissenschaften, Friedrich-Schiller-Universität

14:30 Computational Wave Propagation: Advances in Global and Regional Seismology
Gilbert Brietzke, Heiner Igel, Gunnar Jahnke, Markus Treml, Michael Ewald, Haijiang Wang,
Departmant für Geo- und Umweltwissenschaften, Bereich Geophysik, Ludwig-Maximilians-Universität München; Bundesanstalt für Geowissenschaften und

14:55 Break

15:25 Poster Session I

Numerical simulation of 3D unsteady heat transfer at stronglydeformed droplets at high
Reynolds numbers
Matthias Hase und Bernhard Weigand
ITLR, Universität Stuttgart

Numerical High Lift Research II - NHLRes II. Annual review 2002
S. Melber-Wilkending, E. Stumpf, J. Wild, R. Rudnik
Aerodynamik und Strömungstechnik, DLR Braunschweig

Numerical Investigation of Semi-Turbulent Pipe Flow
E.Khalifa and E.Laurien
Institut of Nuclear Technology, University of Stuttgart

Prediction of the Model Deformation of a High Speed Transport Aircraft Type Wing by Direct
Aeroelastic Simulation
C. Braun, A. Boucke, M. Hanke, A. Karavas, J. Ballmann
Lehr- und Forschungsgebiet für Mechanik, RWTH Aachen

Water on Mars
Tetsuya Tokano
Institut für Raumsimulation, DLR

Formation and Propagation of Jets around Compact Objects
Matthias Stute, Max Camenzind
Landessternwarte Heidelberg Königstuhl, Landessternwarte

16:05 Poster Exhibit I

16:50 Poster Session II

Performance analysis using the PAR-Bench benchmark system
Andreas Kowarz
Zentrum für Hochleistungsrechnen, TU Dresden

Crack Propagation in Icosahedral Model Quasicrystals
Ch. Rudhart, F. Rösch, F. Gähler, J. Roth, and H.-R. Trebin
Institut für Theoretische und Angewandte Physik, Universität Stuttgart

Gas-phase epitaxy grown InP(001) surfaces from real-space finite-difference calculations
W.G. Schmidt, P.H. Hahn, K. Seino, M. Preuß, and F. Bechstedt
Institut für Festkörpertheorie und Theoretische Optik, Universität Jena

Amorphous silica at surfaces and interfaces: simulation studies
Jürgen Horbach, Torsten Stuehn, Claus Mischler, Walter Kob, Kurt Binder
Institut für Physik, Johannes Gutenberg-Universität Mainz

Quantum mechanical studies of boron clustering in silicon
Péter Deák, Ádám Gali, Peter Pichler
Lehrstuhl für Elektronische Bauelemente, Universität Erlangen-Nürnberg

Molecular Transport through Single Molecules
Stampfuss, Heurich, Wegewijs, Hettler, Cuevas, Schoeller, Wenzel, Schoen
Institut für Nanotechnologie, Forschungszentrum Karlsruhe

17:25 Poster Exhibit II

18:10 Poster Discussion

18:55 Break

19:30 Workshop Dinner


Tuesday, October 7th, 2003

Session 4: Physics
Chairman: Prof. Dr. Hanns Ruder, Universität Tübingen

9:00 Collisional Dynamics of Black Holes, Star Clusters and Galactic Nuclei
E. Khalisi, C. Omarov, R. Spurzem, M. Giersz, D.N.C. Lin
Astronomisches Rechen-Institut

9:25 Large Scale Simulations of Jets in Dense and Magnetised Environments
Martin Krause and Max Camenzind
Nordinstitut/Theorie, Landessternwarte

9:50 How do droplets depend on the system size? Droplet condensation and nucleation in small
simulation cells.
Peter Virnau, Luis Gonzalez MacDowell, Marcus Mueller, Kurt Binder
Institut für Physik, WA331, Johannes Gutenberg Universität

10:15 Break

Session 5: Chemistry & Bioinformatics
Chairman: Prof. Dr. Christoph van Wüllen, Technische Universität Berlin

10:45 Quantum Chemical Calculations of Transition Metal Complexes
Stefan Erhardt, Gernot Frenking
Fachbereich Chemie, Philipps-Universität Marburg

11:10 Protonation States of Methionine Aminopeptidase Studied by QM/MM Car-Parrinello Molecular
Dynamics Simulations
Christian Klein
Pharmaz. und Mediz. Chemie, Univ. des Saarlandes

11:35 Towards a Holistic Understanding of the Human Genome by Dertermination and Integration
of its Sequential and Three-Dimensional Organization
Tobias A. Knoch
A0602, A0125, Deutsches Krebsforschungszentrum (DKFZ)

12:00 Lunch

Session 6: Computer Science & Reacting Flows & CFD
Chairman: N.N.

13:00 Efficient and Object-Oriented Libraries for Particle Simulations
Ganzenmüller, Hipp, Kunze, Pinkenburg, Ritt, Rosenstiel, Ruder, Schäfer
Technische Informatik, Uni Tübingen

13:25 SKaMPI -- including more complex communication patterns
Michael Haller, Thomas Worsch
IAKS Vollmar, Universität Karlsruhe

13:50 DNS of Turbulent Premixed CO/H2/Air Flames
Marc Lange
IWR, Universität Heidelberg

14:15 parpp3d++ - a Parallel HPC Code for the Incompressible Nonstationary Navier-Stokes
Equations
Sven Buijssen, Stefan Turek
Institut für Angewandte Mathematik und Numerik, Universität Dortmund

14:40 Break

Session 7: CFD
Chairman: Prof. Dr.-Ing. Siegfried Wagner, Universität Stuttgart

15:10 Interactive CFD Simulations by Coupling Supercomputers with Virtual Reality
Petra Hardt, Siegfried Kühner, Ernst Rank, Oliver Wenisch
Lehrstuhl für Bauinformatik, TU München; Leibniz-Rechenzentrum München

15:35 Boundary Layer Separation Influenced by Free-Stream Disturbances
Jan Wissink, Wolfgan Rodi
Institut für Hydromechanik, Universität Karlsruhe

16:00 The effect of Impinging Wakes on the Boundary Layer of a Thin-Shaped Turbine Blade
Vittorio Michelassi, Jan Wissink and Wolfgang Rodi
Institute for Hydromechanics, University of Karlsruhe

16:25 Investigation of the Flow Randomization Process in a Transitional Boundary Layer
Daniel Meyer, Ulrich Rist, Markus Kloker
Institut f. Aerodynamik und Gasdynamik, Universität Stuttgart

16:50 Parallel Programming Models on Hybrid Systems
Rolf Rabenseifner
HLRS

18:50 Reception
and awarding of Golden Spikes of HLRS