High Performance Computing in Science and Engineering, Munich 2004

Performance and Tools.- Performance of Scientific Applications on Modern Supercomputers.- A Lightweight Dynamic Application Monitor for SMP Clusters.- gridlib - A Parallel, Object-oriented Framework for Hierarchical-hybrid Grid Structures in Technical Simulation and Scientific Visualization.- Computational Fluid Dynamics.- Preface.- Fully Three-Dimensional Coupling of Fluid and Thin-Walled Structures.- Efficiency of Lattice Boltzmann Codes as Moderate Reynolds Number Turbulence Solvers.- Testing of Closure Assumption for Fully Developed Turbulent Channel Flow with the Aid of a Lattice Boltzmann Simulation.- High-Performance Computing in Turbulence Research: Separated Flow Past an Airfoil at High Angle of Attack.- DNS of Passive Scalar Transport in Turbulent Supersonic Channel Flow.- A Coupled DNS/Monte-Carlo Solver for Dilute Suspensions of Brownian Fibres in Turbulent Channel Flow.- Large-Eddy-Simulation of an Airfoil at Re = 20000 Using Cartesian Grids.- Interactive CFD Simulation by Coupling Supercomputers with Virtual Reality.- Boundary Layer Separation Influenced by Free-Stream Disturbances.- parpp3d++ - A Parallel HPC Code for the Incompressible Nonstationary Navier-Stokes Equations.- Flow Induced Noise Computation on Hitachi SR8000-F1.- Chemistry and Biosciences.- Preface.- Theoretical Studies of Vanadium Complexes: Reactivities and 51V NMR Chemical Shifts in Solution.- Ab-Initio Molecular Dynamics Simulations of Hydrous Silicate Systems.- Theoretical Studies of Ultrafast Electron Transfer Reactions in Condensed Phases.- Multi Dimensional Quantum Dynamics.- QM/MM Simulation of the First Step of Vision.- Computer Simulations of Enzyme Reaction Mechanisms: Simulation of Protein Spectra.- Computer Simulations of Enzyme Reaction Mechanisms: Application of a HybridGenetic Algorithm for the Superimposition of Three-Dimensional Chemical Structures.- A Fast Program for Phylogenetic Tree Inference with Maximum Likelihood.- Solid-State Physics.- Preface.- Phasediagram and Scaling Properties of the Projected SO(5) Model in Three Dimensions.- Electron-Spin Interaction in High-Tc Superconductors.- DCA for the 2D Hubbard Model at T ? 0.- Density-functional Calculation of Structural Properties in Ionic and Semiconductor Crystals.- Planar Helium under Electromagnetic Driving.- DMRG Investigation of Stripe Formation in Doped Hubbard Ladders.- DNA Base Properties from First Principles Plane-Wave Calculations.- Monte Carlo Studies of Connectivity Disorder.- Structure, Energetics and Properties of Fe3O4(001) from First Principles.- Fundamental Physics and Astrophysics.- Preface.- Optimizing the Hybrid Monte Carlo Algorithm on the Hitachi SR8000.- Towards a Converged 4He Scattering Calculation.- Heavy Quark Physics on Large Lattices.- Quantum Chromodynamics with Chiral Quarks.- Ultra-relativistic Plasma Shell Collisions in Pulsar Magnetospheres and ?-ray Bursts.- Simulation of Solar Magneto-Convection.- Geophysics.- Preface.- Computational Elastic Wave Propagation: Advances in Global and Regional Seismology.