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High Performance Computing in Science & Engineering 2004

The 7th Results and Review Workshop of the HLRS, October 4-5, 2004
at the High Performance Computing Center Stuttgart, Allmandring 30, 70569 Stuttgart

Agenda

Monday, October 4th, 2004

9:15 Opening
Prof. Dr. Egon Krause (Chairman of the Steering Committee of HLRS)

Session 1: CFD
Chairman: Prof. Dr. Dietmar Kröner, Universität Freiburg

9:30 LES of Passive Heat Transport in a Turbine Cascade
Jan Wissink and Wolfgang Rodi
Insitute for Hydromechanics, University of Karlsruhe

10:00 LES of Shock Wave / Turbulent Boundary Layer Interaction
M. S. Loginov, N. A. Adams, A. A. Zheltovodov
Institut für Strömungsmechanik, Technische Universität Dresden

10:30 Break

Session 2: Reacting Flows & Computer Science
Chairman: Prof. Dr. Dietmar Kröner, Universität Freiburg

11:00 Recent Improvements of the Parallel-Multiblock URANUS 3D Nonequilibrium Code
M. Fertig, F. Infed, F. Olawsky, M. Auweter-Kurtz and P. Adamidis
Institut für Raumfahrtsysteme, Universität Stuttgart

11:30 Performance analysis of NEC computers by using the PARbench benchmark system
Andreas Kowarz, Wolfgang E. Nagel, Bernd Trenkler
Center for High Performance Computing (ZHR), Dresden University of Technology

12:00 Lunch

Session 3: Solid State Physics
Chairman: Prof. Dr. Werner Hanke, Universität Würzburg

13:00 Dynamics and criticality of correlated electrons and quantum gases
C. Lavalle, M. Rigol, J. Hub and A. Muramatsu
Institute for Theoretical Physics III, Universitaet Stuttgart

13:30 Numerische Untersuchungen von (Nano-) Systemen in eingeschränkter Geometrie
P.Nielaba
Fachbereich Physik, Universität Konstanz

14:00 Methylchloride adsorption on Si(001) -- Electronic properties
Martin Preuß, Wolf G. Schmidt and F. Bechstedt
Computational Materials Science Group / IFTO, Friedrich-Schiller-Universität

14:30 Break

15:00 Poster Session I

Thermal quark-antiquark free energies, energies and screening in hot SU(3) gauge theory
TherO. Kaczmarek, F. Karsch, P. Petreczky and F. Zantow
Fakultaet fuer Physik, Universitaet Bielefeld

Large scale simulation of a cooled, pulsed jet in Symbiotic Stars
Matthias Stute, Max Camenzind
Landessternwarte Heidelberg, Landessternwarte

Image States on the LiF(001)-(1x1) Insulator Surface
Michael Rohlfing
School of Engineering and Science, International University Bremen

Toward a Thermochemical Model of the Evolution ot the Earth's Mantle
U. Walzer, R. Hendel, J. Baumgardner
Institut für Geowissenschaften, Friedrich-Schiller-Universität

Ab initio simulation of clusters: relativistic effects in structure and bonding of noble metal nanoparticles
M.Moseler, H.Häkkinen, B.v.Issendorff
Fakultät für Physik Theoretische Quantenphysik, Universität Freiburg

The Mixed Akali Effect in Ternary Alkali Silicate Melts: Insight from Molecular Dynamics Computer simulations
Hans Knoth, J. Horbach, and K. Binder
Institut fuer Physik, Johannes Gutenberg-Universitaet Mainz

SKaMPI – towards version 5
Werner Augustin, Michael Haller, Marc-Oliver Straub, Thomas Worsch
Lehrstuhl Informatik für Ingenieure und Naturwissenschaftler, Universität Karlsruhe

16:10 Poster Exhibit I

16:40 Poster Session II

Numerical High Lift Research II/III
S. Melber-Wilkending, A. Stuermer, E. Stumpf, J. Wild, R. Rudnik
Aerodynamics and Flow Technologie, DLR Braunschweig

Numerical simulation of electrostatic spray-painting processes in the automotive industry
Q. Ye, J. Domnick, A. Scheibe, K. Pulli
IPA, Fraunhofer Institut für Produktionstechnik und Automatisierung

Supersonic Combustion
Fernando Schneider, Peter Gerlinger, Manfred Aigner
Institut für Verbrennungstechnik, DLR Stuttgart

Numerical simulation of incompressible flow around a sphere with trip wire at Re=50000
M. Torlak, G. Jensen, I. Hadzic
AB Fluiddynamik und Schiffstheorie, TU Hamburg-Harburg

The iron(III) catalyzed Michael reaction -- reactivity differences between several different acceptors
Silke Pelzer and Christoph van Wüllen
Institute of Chemistry, TU Berlin Sekr. C3

Glycine at the water/pyrite interface under extreme pressure/temperature conditions
C. Boehme, E. Schreiner, D. Marx
Lehrstuhl fuer Theoretische Chemie, Universitaet Bochum

17:40 Poster Exhibit II

18:10 Poster Discussion

19:30 Workshop Dinner


Tuesday, October 5th, 2004

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

09:00 Chain conformation and phase behavior in confined polymer blends
A. Cavallo, M. Müller and K. Binder
Institut für Physik, WA331, Johannes Gutenberg Universität

09:30 Interaction of Jets with Galactic Winds
Martin Krause, Max Camenzind
Landessternwarte Heidelberg Koenigstuhl, Landessternwarte

10:00 Numerical Modelling of Convection and Dynamo Processes in Fully Convective Stars
Wolfgang Dobler, Axel Brandenburg, Michael Stix
Kiepenheuer-Institut für Sonnenphysik, Kiepenheuer-Institut für Sonnenphysik

10:30 Break

Session 5: Earth Sciences & Structural Mechanics
Chairman: Prof. Dr. Hanns Ruder, Universität Tübingen

11:00 Numerical considerations of fluid effects on wave propagation
Saenger, E.H. ; Krueger, O.S.; Shapiro, S.A.
FB Geowissenschaften, FR Geophysik

11:30 Simulations of particle suspensions at the ICP
Alex Komnik, Martin Strauß, Sean McNamara, Hans Herrmann
ICA I Physik auf Hochleistungsrechnern, Universität Stuttgart

12:00 Lunch

Session 6: CFD
Chairman: N.N.

13:00 Combination of detailed CFD simulations using the lattice Boltzmann method and experimetal measurements using the NMR/MRI technique
Thomas Zeiser
Regionales Rechenzentrum Erlangen (RRZE), Universität Erlangen-Nürnberg

13:30 Investigation of hypersonic flat-plate boundary-layer transition by Direct Numerical Simulation
Christain Stemmer and Nikolaus A. Adams
Institut für Strömungsmechanik, Technische Universität Dresden

14:00 Numerical Study of the Influence of Dynamic Pressure and Deflected Ailerons on the Deformation of a High Speed Wing Model
C. Braun, A. Boucke, J. Ballmann
Lehr- und Forschungsgebiet für Mechanik, RWTH Aachen

14:30 DNS Study of spatial discrete suction for Laminar Flow Control
Ralf Messing, Markus Kloker
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

15:00 Break

Session 7: Chemistry
Chairman: Prof. Dr.Christoph van Wüllen, Technische Universität Berlin

15:30 Potential Energy Surfaces of Unusual Double Proton Transfer Reactions
Guntram Rauhut, Stefan Schweiger
Institut fuer Theoretische Chemie, Universitaet Stuttgart

16:00 Quantum reactive scattering for ion-neutral collisions: The H-3 system
C. Morari, R. Jaquet
Theoretische Chemie, Universitaet Siegen

16:30 Simulation in verteilten Umgebungen
M. Becker, M. Hess, P. Lindner, M. Müller, D. Pesek
HLRS

18:30 Reception
and awarding of Golden Spikes of HLRS