This volume summarizes the state of the art in supercomputing, with special emphasis on the industrial relevance of the presented results and methods. The book showcases an innovative usage of state-of-the-art modeling, novel numerical algorithms and the use of leading-edge high-performance computing systems in a GRID-like environment.

Physics

Simulation of Dislocations in Icosahedral Quasicrystals with IMD
Buoyancy Driven Convection in Rotating Spherical Shells and Its Dynamo Action
Finite-Difference Simulations of Seismic Wavefields in Isotropic and Anisotropic Earth Models
Collisional Dynamics of Black Holes, Star Clusters and Galactic Nuclei
The Computation of Highly Excited Hyperbolic 3D-Eigenmodes and Their Application to Quantum Chaos and Cosmology
Propagation of Herbig-Haro Jets Through Inhomogeneous Molecular Clouds
Phase Transitions and Quantum Effects in Systems with Reduced Geometry
Probing Hot Quantum Chromodynamics with a Complex Chemical Potential
Solid State Physics
Destruction of Superfluid and Long Range Order by Impurities in Two Dimensional Systems
Density-Matrix Algorithm for Phonon Hilbert Space Reduction in the Numerical Diagonalization of Quantum Many-Body Systems
Single Hole Dynamics in Correlated Insulators
Impurities in a Hubbard-chain
Band to Mott Insulator Transition in the Ionic Hubbard Model
GaAs and InAs (001) Surface Structures from Large-scale Real-space Multigrid Calculations
The Role of the Geometric Structure for Electronic Excitations of Molecules and Surfaces
Structural and Vibronic Properties of the Dihydride-terminated Si(001) Surface
Interplay of Phase Fluctuations and Electronic Excitations in High-Temperature Superconductors-A Monte Carlo Simulation
Chemistry
Improper, Blue-shifting Hydrogen Bond Between Fluorobenzene and CHX3 (X=F,C1)
Hydrophobic Solvation in Liquid Water Via Car-Parrinello Molecular Dynamics: Progress and First Results
Ab initio Molecular Dynamics Simulation of Hydrogen Fluoride at Several Thermodynamic States
Quantum Chemical Calculations of Transition Metal Complexes
Computer Simulation of Protein Unfolding
Computational Fluid Dynamics
DNS of Active Control of Disturbances in a Blasius Boundary Layer
Statistical Analysis of a Turbulent Adverse Pressure Gradient Boundary Layer
Simulation of Bidisperse Bubbly Gas-Liquid Flows by a Parallel Finite-Difference/Front-Tracking Method
Vortex Shedding in the Turbulent Wake of a Sphere at Subcritical Reynolds Number
Assumed PDF Modeling with Detailed Chemistry
A 3D Hydrodynamic Simulation for the Cygnus A Jet as a Prototype for High Redshift Radio Galaxies
Parallel Computation of the Time Dependent Velocity Evolution for Strongly Deformed Droplets
Simulation of Two-Phase Flow in Pipes
Computational Study of the Flow in an Axial Turbine with Emphasis on the Interaction of Labyrinth Seal Leakage Flow and Main Flow
Numerical Simulation of Rotating Stall in an Axial Compressor
Euler and Navier-Stokes Solutions for Flapping Wing Propulsion
Hindcasting the Uptake of Anthropogenic Trace Gases with an Eddy-Permitting Model of the Atlantic Ocean
Flow with Chemical Reactions
Implementation of Complex Chemical Reaction Mechanisms Into a 3D Furnace Simulation Code
Direct Numerical Simulation of Turbulent Flame Kernels Using HPC
Direct Numerical Simulations of Spark Ignition of H2/Air-Mixture in a Turbulent Flow
Detailed Simulation of Transport Processes in Reacting Multi-Species Flows Through Complex Geometries by Means of Lattice Boltzmann Methods
Structural Mechanics
Numerical Modelling of Geotechnical Boundary Value Problems
Wave Propagation in Heterogeneous Media. Part 1: Effective Velocities in Fractured Media
Wave Propagation in Heterogeneous Media. Part 2: Attenuation of Seismic Waves Due to Scattering
Computer Science
Fast Parallel Particle Simulations on Distributed Memory Architectures
High-accuracy Simulation of Density Driven Flow in Porous Media
ParWave: Parallel Wavelet Video Coding
Compiler-Generated Vector-based Prefetching on Architectures with Distributed Memory.