KNYGA Siegfried Wagner High Performance Computing in Science and Engineering in Munich 2002

I High Performance Systems.- TeraFlops Computing with the Hitachi SR8000-F1: From Vision to Reality.- II Computational Fluid Dynamics.- Numerical Prediction of Deformations and Oscillations of Wind-Exposed Structures.- Large-Eddy and Detached-Eddy Simulation of the Flow Around High-Lift Configurations.- Direct Simulation with the Lattice Boltzmann Code BEST of Developed Turbulence in Channel Flows.- DNS of Homogeneous Shear Flow and Data Analysis for the Development of a Four-Equation Turbulence Model.- Large-Eddy Simulations of High Reynolds Number Flow Around a Circular Cylinder.- Numerical Simulation of Passively Controlled Turbulent Flows over Sharp-Edged and Smoothly Contoured Backward-Facing Steps.- Parallel Single- and Multiphase CFD-Applications Using Lattice Boltzmann Methods.- Models of Type Ia Supernova Explosions.- Direct Numerical Simulation of Boundary Layer Separation along a Curved Wall with Oscillating Oncoming Flow.- III Biosciences.- QM/MM Study of Rhodopsin.- Simulation of Neuronal Map Formation in the Primary Visual Cortex.- IV Chemistry.- A User-Oriented Set of Quantum Chemical Benchmarks.- Structure, Energetics, and Spectroscopy of Models for Enzyme Cofactors.- Ruthenium Dioxide, a Versatile Oxidation Catalyst: First Principles Analysis.- Theoretical Studies of Structures of Vanadate Complexes in Aqueous Solution.- V Solid-State Physics.- Large Scale Car-Parrinello Simulation of Fully Hydrated DNA.- Metal-Insulator Transitions and Realistic Modelling of Correlated Electron Systems.- Monte Carlo Studies of Three-Dimensional Bond-Diluted Ferromagnets.- Microwave Ionisation of Non-Hydrogenic Alkali Rydberg States.- Density-Functional Calculation and Inelastic Neutron Scattering of Structural and Dynamical Properties in Fluoride Crystals.- Optical Response of Semiconductor Surfaces and Molecules Calculated from First Principles.- Phase Fluctuations and the Role of Electron Phonon Coupling in High-TcSuperconductors.- The Cluster-Perturbation-Theory and its Application to Strongly-Correlated Materials.- Object-Oriented C++ Class Library for Many Body Physics on Finite Lattices and a First Application to High-Temperature Superconductivity.- From Fermi Liquid to Non-Fermi Liquid Physics - Influence of Non-Local Fluctuations in Low-Dimensional Fermion Systems.- One-Dimensional Electron-Phonon Systems: Mott- Versus Peierls-Insulators.- VI Geophysics.- 3-D Seismic Wave Propagation on a Global and Regional Scale: Earthquakes, Fault Zones, Volcanoes.- VII Fundamental Physics.- Simulation of QCD with Dynamical Quarks.- Quantum Chromodynamics with Chiral Quarks.- Three-Nucleon Force in the4He Scattering System.- Simulations of the Local Universe.- The Free Electron Maser in Pulsar Magnetospheres.- VIII Computer Science.- Pseudo-Vectorization and RISC Optimization Techniques for the Hitachi SR8000 Architecture.- Automatic Performance Analysis on Hitachi SR8000.- Adapting PAxML to the Hitachi SR8000-F1 Supercomputer.- Load Balancing for Spatial-Grid-Based Parallel Numeric Simulations on Clusters of SMPs - A Case Study from an Industrial CFD Simulation.- Scientific Progress in the Par-EXPDE-Project.- gridlib - A Parallel, Object-Oriented Framework for Hierarchical-Hybrid Grid Structures in Technical Simulation and Scientific Visualization.