High Performance Computing in Science and Engineering, Garching/Munich 2007

Astrophysics.- Numerical Simulations of Compact Binary Systems.- Ab Initio Vlasov Code Simulation of Micro-Turbulence, Phase Space Structure Formation and the Resulting Anomalous Transport and Particle Acceleration in Collisionless Astrophysical Plasmas, I: The 2D2V Code.- The ART of Cosmological Simulations.- Modeling of Turbulent Flows Applied to Numerical Simulations of Galaxy Clusters.- The Onset of Convection During the Core Helium Flash.- Formation of the First Supermassive Black Holes in the Early Universe.- Star Formation in the Turbulent Interstellar Medium and Its Implications on Galaxy Evolution.- The Aquarius Project: Cold Dark Matter under a Numerical Microscope.- Biosciences.- ParBaum: Large-Scale Maximum Likelihood-Based Phylogenetic Analyses.- Chemistry.- A Theoretical Study of Polyoxometalates and Dendrizyme Model Compounds.- Multi Dimensional Quantum Dynamics of Chemical Reaction Processes.- Investigating Protein-Protein and Protein-Ligand Interactions by Molecular Dynamics Simulations.- Probing the Mechanical Strength of Chemical Bonds by Stretching Single Molecules.- Plane Wave Density Functional Model Studies of Chemistry at Surfaces.- Oxidative Dehydrogenation of Simple Molecules over RuO2(110): Density Functional Theory Calculations.- Redox Catalysis and Reactivity of Metalloporphyrines.- Computational Fluid Dynamics.- Numerical Optimization of Compressor Casing Treatments for Influencing the Tip Gap Vortex.- High-Performance Computing for the Investigation of the Flow Past an Airfoil with Trailing-Edge Stall.- On the Turbulence Structure in Supersonic Nozzle Flow.- Large Scale CFD for Complex Flows.- Flow Simulations of an Axial Transonic Compressor Stage.- Gyrokinetic Turbulence Simulations for Fusion Plasmas.- A Parallel CFDSolver Using the Discontinuous Galerkin Approach.- A-priori Analysis of the LMSE Micromixing Model for Filtered-Density Function Simulation in High Schmidt Number Flows.- Characterization of the Dissipation Tensor from DNS of Grid-Generated Turbulence.- Numerical Investigation of the Noise Emission from Serrated Nozzles in Coaxial Jets.- Numerical Simulation of Fluid-Structure- and Fluid-Structure-Acoustic Interaction Based on a Partitioned Coupling Scheme.- Large-Eddy Simulation of Plane Jet Injection into Supersonic Turbulent Crossflow.- Simulation of the Flow around the Stratospheric Observatory for Infrared Astronomy SOFIA Using URANS and DES.- Direct Numerical Simulation of Flame/Acoustic Interactions.- Scaling Properties of Convective Turbulence.- Parallel Free-Surface and Multi-Phase Simulations in Complex Geometries Using Lattice Boltzmann Methods.- Dynamics of Heavy Particles in Turbulent Flows.- Interactive Indoor Thermal Comfort Evaluation.- DNS of Transition to Turbulence in a Linear Compressor Cascade.- Computer Science.- Some Applications of the PDE Solver FDEM with Error Estimate.- waLBerla: The Need for Large-Scale Super Computers.- Scalable Multigrid.- RZBENCH: Performance Evaluation of Current HPC Architectures Using Low-Level and Application Benchmarks.- Towards Scalable Parallel Numerical Algorithms and Dynamic Load Balancing Strategies.- The HLRB Cluster as Quantum CISC Compiler.- Concepts for Efficient Flow Solvers Based on Adaptive Cartesian Grids.- Challenges and Potentials of Emerging Multicore Architectures.- Geophysics.- A p-Adaptive Discontinuous Galerkin Method with Local Time Steps for Computational Seismology.- Predictability of Rayleigh-Number and Continental-Growth Evolution of a Dynamic Model of the Earth's Mantle.-Quantifying Uncertainties in Earthquake Scenario Ground Motion Calculations: Finite Source Effects.- High Energy Physics.- Dynamical Lattice QCD with Ginsparg-Wilson-Type Fermions.- Simulation of N f =2+1 Lattice QCD at Realistic Quark Masses.- Solid State Physics.- Long-Range Chiral Recognition Due to Substrate Locking and Substrate-Adsorbate Charge Transfer.- Quantum Transport within a Background Medium: Fluctuations versus Correlations.- Quantum Monte Carlo Studies of Strongly Correlated Electron Systems.- Charge Transport through Guanine Crystals.- Electronic Charge and Orbital Reconstruction at Cuprate-Titanate Interfaces.- Compensation Mechanisms and Functionality of Transition Metal Oxide Surfaces and Interfaces: A Density Functional Theory Study.