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High Performance Computing in Science & Engineering 2002

The 5th Results and Review Workshop of the HLRS, September 30 - October 1, 2002
at the University of Stuttgart Computing Center, Allmandring 30, 70569 Stuttgart

Agenda

Monday, September 30th, 2002

9:00 Opening
Prof. Dr.-Ing. S. Wagner

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

9:15 3-D-boundary-layer transition induced by superposed steady and traveling crossflow vortices
Bonfigli G., Kloker M., Wagner S.
Institut fuer Aero- und Gasdynamik IAG, Universitaet Stuttgart

9:40 Investigation of a turbulent separating boundary layer by direct numerical simulation
Michael Manhart
Fachgebiet Strömungsmechanik, Technische Universität München

10:05 Break

Session 2: CFD
Chairman: Prof. Dr.-Ing. S. Wagner, Universität Stuttgart

10:35 Predictions of the 3D Unsteady Heat Transfer at Moving Droplets
M. Hase and B. Weigand
Institut für Thermodynamik der Luft- und Raumfahrt, Universität Stuttgart

11:00 Implicit LU Time Integration Using Domain Decomposition and Overlapping Grids
P. Gerlinger, P. Stoll, F. Schneider, and M. Aigner
Institut für Verbrennungstechnik, DLR Stuttgart

11:25 Three-dimensional Numerical Simulation of Flow and Heat Transport in High-temperature Nuclear Reactors
S. Becker and E. Laurien
Institut fuer Kernenergetik und Energiesysteme (IKE), University of Stuttgart

11:50 Lunch

Session 3: Solid State Physics
Chairman: Prof. Dr. Egon Krause, RWTH Aachen

12:50 Selfconsistent Auxiliary Particle Theory for Strongly Correlated Fermion Systems
Stefan Kirchner, and Johann Kroha, and Peter Wölfle
Institut für Theorie der Kondensierten Materie, Universität Karlsruhe

13:15 Frozen phonon calculation in the 3 band Hubbard model
Zhongbing Huang, Werner Hanke, and Enrico Arrigoni
Universitaet Wuerzburg, Institut fuer Theoretische Physik

13:40 The importance of intermediate range order in silicates: molecular dynamics simulation studies
Juergen Horbach, Anke Winkler, Walter Kob, Kurt Binder
Institut fuer Physik, Johannes Gutenberg-Universitaet Mainz

14:05 Break

14:30 Poster Session I

Large-Eddy-Simulations of turbulent wall bounded flow with and without Adverse Pressure Gradient
S.Eisenbach, M. Manhart and R. Friedrich
FG Strömungsmechanik, TU-München

Efficient Divergence Cleaning in Three-Dimensional MHD Simulations
Dedner, Kroener, Rohde, Wesenberg
Institut fuer Angewandte Mathematik, Universitaet Freiburg

Parallel Two-Phase Flow Simulations in Porous Media
U. Ölmann, R. Hinkelmann and R. Helmig
Institut für Wasserbau, Universität Stuttgart

Three-Dimensional Simulation of Two-Phase Flow in Pipes
Tobias Giese and Eckart Laurien
Institute of Nuclear Technology and Energy Systems (IKE), University of Stuttgart

Numerical Investigation of the Shuttle-like Configuration PHOENIX
B. Reinartz, M. Hesse, J. Ballmann
Lehr- und Forschungsgebiet fuer Mechanik, RWTH Aachen

Numerical High Lift Research- NHLRes / Annual review 2001
S. Melber, J. Wild, R. Rudnik
Institut fuer Aerodynamik und Stroemungstechnik, DLR

Application of the Lattice Boltzmann CFD Method on HPC Systems to Analyse the Flow in Fixed-Bed Reactors
Thomas Zeiser, Gunther Brenner, Franz Durst
Lehrstuhl fuer Stroemungsmechanik, Universitaet Erlangen-Nuernberg

Regional Climate Simulation for Central Europe
Klaus Keuler
Lehrstuhl für Umweltmeteorologie, BTU Cottbus

Benchmarking Collective Operations with SKaMPI
Thomas Worsch, Ralf Reussner, Werner Augustin
LIIN, Univ. Karlsruhe

15:15 Poster Exhibit I

16:00 Poster Session II

Computation of Strain Distributions in Quantum Dot Nanostructures by Means of Atomistic Simulations
F. Gaehler, C. Kohler, J. Roth, H.-R. Trebin
Institut fuer Theoretische und Angewandte Physik, Universitaet Stuttgart

Inertial instabilities in precession driven flow
S. Lorenzani, A. Tilgner
Institute of Geophysics, University of Goettingen

Replication of Dissipative Solitons by Many-Particle Interaction
Andreas W. Liehr, Andrei S. Moskalenko, Michael C. Röttger, Jürgen Berkemeier und
Institut für Angewandte Physik, Westfälische Wilhelms-Universität

Structures, phases and phase transitions in nano- structures
P. Nielaba
Physics Department (Theory), University of Konstanz

Self-Trapping of the Si(111)-(2x1) Surface Exciton
Michael Rohlfing
Institut fuer Festkoerpertheorie, Universitaet Muenster

Thermodynamics and dynamics of correlated electron systems
C. Lavalle, M. Rigol, M. Feldbacher, F. F. Assaad and A. Muramatsu
Institut fuer Theoretische Physik III, Universitaet Stuttgart

Exact diagonalization study of spin, orbital, and lattice correlations in CMR manganites
Alexander Weisse, Gerhard Wellein, and Holger Fehske
Universitaet Bayreuth, Lehrstuhl Theoretische Physik I

FE-simulations of subsequently piled foundations
Hans Mathäus Hügel
Arbeitsbereich Geotechnik und Baubetrieb, TU Hamburg-Harburg

16:45 Poster Exhibit II

17:30 Poster Discussion

18:15 Break

19:30 Workshop Dinner


Tuesday, October 1st, 2002

Session 4: Physics
Chairman: Prof. Dr.-Ing. K. Schweizerhof, Universität Karlsruhe

9:00 Temporal propagators and quasiparticles in hot QCD
F. Karsch, E. Laermann, P. Petreczky, S. Stickan and I. Wetzorke
Fakultaet fuer Physik, Uviversitaet Bielefeld

9:25 The structure of Magnetic Herbig-Haro Jets
Max Camenzind and Markus Thiele
Landessternwarte Königsstuhl

9:50 Variation of non-dimensional numbers and a theraml evolution model of the Earth's mantle
Walzer, U., Hendel, R., Baumgardner, J.
Institut für Geowissenschaften, Friedrich-Schiller-Universität

10:15 Break

Session 5: Computer Science & Reacting Flows
Chairman: Prof. Dr. Kröner, Universität Freiburg

10:45 ParWave: Granularity in Parallel Wavelet Packet Video Coding
Manfred Feil and Andreas Uhl
Department of Scientific Computing, Salzburg University

11:10 A Vectorised Lagrangian Particle Model for the Numerical Simulation of Coal-Fired Furnaces
J. Stroehle, F. Rueckert, B. Risio, U. Schnell, K. R. G. Hein
Institute of Process Engineering and Power Plant Technology, University of Stuttgart

11:35 Massively Parallel DNS of Flame Kernel Evolution in Spark-Ignited Turbulent Mixtures
Marc Lange
HLRS, Universität Stuttgart

12:00 Lunch

Session 6: Chemistry
Chairman: Prof. Dr. Willi Jäger, Universität Heidelberg

13:00 The Iron(III) Catalysed Michael Reaction
Silke Pelzer and Christoph van Wüllen
Inst. of Chemistry, TU Berlin, Sekr. C3

13:25 Improved Implementation and application of the individually selecting configuration interaction method
Stampfuss, Vogel, Wenzel
Institut fuer Nanotechnologie, Forschungszentrum Karlsruhe

13:50 Accurate ab inition calculations for vanadium oxide clusters
Mikhail Pykavy and Christoph van Wüllen
Institute of Chemistry, Sekr. C3, TU Berlin

14:15 Structural trends and transitions in water clusters
Bernd Hartke
Institut fuer Physikalische Chemie, Christian-Albrechts-Universitaet

14:40 Break

Session 7: Bioinformatics & CFD
Chairman: Prof. Dr.-Ing. S. Wagner, Universität Stuttgart

15:10 The glass transition in proteins
Hayward, Becker, and Smith
IWR-Biocomputing, Universitaet Heidelberg

15:35 LES of Flow in a Low Pressure Turbine with Incoming Wakes
Vittorio Michelassi, Jan Wissink and Wolfgang Rodi
Institute for Hydromechanics, University of Karlsruhe

16:00 Aeroelastic Analysis of Helicopter Rotor Blades Using HPC
Hubert Pomin, Andree Altmikus and Siegfried Wagner
Institut fuer Aerodynamik und Gasdynamik, Universitaet Stuttgart

16:30 Visualization and Virtual Reality to analyse scientific data
Ulrich Lang
HLRS, Universität Stuttgart

19:00 Reception
and awarding of Golden Spikes of HLRS