High Performance Computing in Science and Engineering, Munich 2004: Transactions of the Second Joint HLRB and KONWIHR Status and Result Workshop, March 2–3, 2004, Technical University of Munich, and Leibniz-Rechenzentrum Munich, Germany

Performance of Scientific Applications on Modern Supercomputers....Pages 3-25
A Lightweight Dynamic Application Monitor for SMP Clusters....Pages 27-36
 gridlib — A Parallel, Object-oriented Framework for Hierarchical-hybrid Grid Structures in Technical Simulation and Scientific Visualization....Pages 37-49
Preface....Pages 51-52
Fully Three-Dimensional Coupling of Fluid and Thin-Walled Structures....Pages 53-61
Efficiency of Lattice Boltzmann Codes as Moderate Reynolds Number Turbulence Solvers....Pages 63-76
Testing of Closure Assumption for Fully Developed Turbulent Channel Flow with the Aid of a Lattice Boltzmann Simulation....Pages 77-91
High-Performance Computing in Turbulence Research: Separated Flow Past an Airfoil at High Angle of Attack....Pages 93-105
DNS of Passive Scalar Transport in Turbulent Supersonic Channel Flow....Pages 107-117
A Coupled DNS/Monte-Carlo Solver for Dilute Suspensions of Brownian Fibres in Turbulent Channel Flow....Pages 119-131
Large-Eddy-Simulation of an Airfoil at Re = 20000 Using Cartesian Grids....Pages 133-143
Interactive CFD Simulation by Coupling Supercomputers with Virtual Reality....Pages 145-155
Boundary Layer Separation Influenced by Free-Stream Disturbances....Pages 157-167
 parpp3d++ - A Parallel HPC Code for the Incompressible Nonstationary Navier-Stokes Equations....Pages 169-177
Flow Induced Noise Computation on Hitachi SR8000-F1....Pages 179-186
Preface....Pages 187-188
Theoretical Studies of Vanadium Complexes: Reactivities and 51 V NMR Chemical Shifts in Solution....Pages 189-198
Ab-Initio Molecular Dynamics Simulations of Hydrous Silicate Systems....Pages 199-209
Theoretical Studies of Ultrafast Electron Transfer Reactions in Condensed Phases....Pages 211-223
Multi Dimensional Quantum Dynamics....Pages 225-236
QM/MM Simulation of the First Step of Vision....Pages 237-243
Computer Simulations of Enzyme Reaction Mechanisms: Simulation of Protein Spectra....Pages 245-259
Computer Simulations of Enzyme Reaction Mechanisms: Application of a Hybrid Genetic Algorithm for the Superimposition of Three-Dimensional Chemical Structures....Pages 261-271
A Fast Program for Phylogenetic Tree Inference with Maximum Likelihood....Pages 273-283
Preface....Pages 285-288
Phasediagram and Scaling Properties of the Projected SO(5) Model in Three Dimensions....Pages 289-300
Electron-Spin Interaction in High-T c Superconductors....Pages 301-308
DCA for the 2 D Hubbard Model at T → 0....Pages 309-318
Density-functional Calculation of Structural Properties in Ionic and Semiconductor Crystals....Pages 319-328
Planar Helium under Electromagnetic Driving....Pages 329-338
DMRG Investigation of Stripe Formation in Doped Hubbard Ladders....Pages 339-347
DNA Base Properties from First Principles Plane-Wave Calculations....Pages 349-361
Monte Carlo Studies of Connectivity Disorder....Pages 363-373
Structure, Energetics and Properties of Fe 3 O 4 (001) from First Principles....Pages 375-381
Preface....Pages 383-384
Optimizing the Hybrid Monte Carlo Algorithm on the Hitachi SR8000....Pages 385-393
Towards a Converged 4 He Scattering Calculation....Pages 395-399
Heavy Quark Physics on Large Lattices....Pages 401-407
Quantum Chromodynamics with Chiral Quarks....Pages 409-418
Ultra-relativistic Plasma Shell Collisions in Pulsar Magnetospheres and γ -ray Bursts....Pages 419-430
Simulation of Solar Magneto-Convection....Pages 431-441
Preface....Pages 443-443
Computational Elastic Wave Propagation: Advances in Global and Regional Seismology....Pages 445-458