Prof. Dr. Egon Krause Aerodynamisches Institut RWTH Aachen Wiillnerstr. zw. 5 u. 7, D-52062 Aachen Prof. Dr. Wihi Jager Interdisziphnares Zentrum fiir Wissenschafthches Rechnen Universitat Heidelberg Im Neuenheimer Feld 368, D-69120 Heidelberg Prof. Dr. Michael Resch Hochstleistungsrechenzentrum Stuttgart Allmandring 30, D-70550 Stuttgart This volume presents an overview of the research conducted in 2003/2004 on the high performance computing systems of the High Performance Com­ puting Center Stuttgart (HLRS). It also reflects the changes in organization and focus of the center which are briefly described here. In 2003 HLRS has teamed up with the University of Karlsruhe in the Competence Center for High Performance Computers of the State of Baden-Wiirttemberg (hkz-bw). This cooperation was gradually deployed during 2004 and has helped to im­ prove the basic services. With an extension of the cooperation to other uni­ versities HLRS aims at further strengthening its ties with researchers in the State of Baden-Wiirttemberg. Users should beneflt from such a larger pool of expertise and the transformation of basic research into simulation results should be improved.

Physics.- Chain Conformations and Phase Behavior in Confined Polymer Blends.- Thermal Quark Anti-quark Free Energies, Energies and Screening in Hot SU(3) Gauge Theory.- Simulations of Particle Suspensions at the Institut für Computerphysik.- Numerical Modelling of Convection and Dynamo Processes in Fully Convective Stars.- Large Scale Simulation of a Cooled, Pulsed Jet in Symbiotic Stars.- Image States on the LiF(001)-(1×1) Insulator Surface.- Interaction of Jets with Galactic Winds.- Solid State Physics.- Numerical Studies of Model Colloids and Nano-Wires.- Ab Initio Simulation of Clusters: Relativistic Effects in Structure and Bonding of Noble Metal Nanoparticles.- The Mixed Akali Effect in Ternary Alkali Silicate Melts: Insight from Molecular Dynamics Computer simulations.- Methylchloride Adsorption on Si(001) Electronic Properties.- Dynamics and Criticality of Correlated Electrons and Quantum Gases.- Electron-doping Evolution of the Quasiparticle Band of the Cuprates.- Computational Fluid Dynamics.- Investigation of Hypersonic Flat-plate Boundary-layer Transition by Direct Numerical Simulation.- DNS Study of spatial discrete suction for Laminar Flow Control.- LES of Shock Wave/Turbulent Boundary Layer Interaction.- Large-eddy Simulation of Incompressible Flow Around a Sphere with Trip Wire at Re = 50 000.- LES of Passive Heat Transfer in a Turbine Cascade.- Enhanced Mixing in Supersonic Combustion.- Numerical Study of the Influence of Dynamic Pressure and Deflected Ailerons on the Deformation of a High Speed Wing Model.- Numerical High Lift Research II/III.- Numerical Simulation of Electrostatic Spray-painting Processes in the Automotive Industry.- Combination of Detailed CFD Simulations Using the Lattice Boltzmann Method and Experimental Measurements Usingthe NMR/MRI Technique.- Recent Improvements of the Parallel-Multiblock URANUS 3D Nonequilibrium Code.- Chemistry.- The Iron(III) Catalyzed Michael Reaction Reactivity Differences Between Several Different Acceptors.- Potential Energy Surfaces of Unusual Double Proton Transfer Reactions.- Quantum Reactive Scattering for Ion-neutral Collisions: The H 3 ? -system.- Glycine at the Water / Pyrite Interface Under Extreme Pressure / Temperature Conditions.- Computer Science.- Performance Analysis of NEC Computers by Using the PARbench Benchmark System.- SKaMPI Towards Version 5.- Earth Sciences.- Numerical Considerations of Fluid Effects on Wave Propagation.- Toward a Thermochemical Model of the Evolution of the Earths Mantle.