High Performance Computing in Science and Engineering 2001

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