High Performance Computing in Science and Engineering, Garching/Munich 2007: Transactions of the Third Joint HLRB and KONWIHR Status and Result Workshop, Dec. 3–4, 2007, Leibniz Supercomputing Centre, Garching/Munich, Germany

Front Matter....Pages i-xii
Front Matter....Pages 1-1
Numerical Simulations of Compact Binary Systems....Pages 3-18
 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....Pages 19-28
The ART of Cosmological Simulations....Pages 29-43
Modeling of Turbulent Flows Applied to Numerical Simulations of Galaxy Clusters....Pages 45-56
The Onset of Convection During the Core Helium Flash....Pages 57-64
Formation of the First Supermassive Black Holes in the Early Universe....Pages 65-77
Star Formation in the Turbulent Interstellar Medium and Its Implications on Galaxy Evolution....Pages 79-91
The Aquarius Project: Cold Dark Matter under a Numerical Microscope....Pages 93-108
Front Matter....Pages 109-109
ParBaum: Large-Scale Maximum Likelihood-Based Phylogenetic Analyses....Pages 111-125
Front Matter....Pages 127-127
A Theoretical Study of Polyoxometalates and Dendrizyme Model Compounds....Pages 129-142
Multi Dimensional Quantum Dynamics of Chemical Reaction Processes....Pages 143-152
Investigating Protein-Protein and Protein-Ligand Interactions by Molecular Dynamics Simulations....Pages 153-164
Probing the Mechanical Strength of Chemical Bonds by Stretching Single Molecules....Pages 165-172
Plane Wave Density Functional Model Studies of Chemistry at Surfaces....Pages 173-186
Oxidative Dehydrogenation of Simple Molecules over RuO 2 (110): Density Functional Theory Calculations....Pages 187-199
Redox Catalysis and Reactivity of Metalloporphyrines....Pages 201-212
Front Matter....Pages 213-213
Numerical Optimization of Compressor Casing Treatments for Influencing the Tip Gap Vortex....Pages 215-225
High-Performance Computing for the Investigation of the Flow Past an Airfoil with Trailing-Edge Stall....Pages 227-240
On the Turbulence Structure in Supersonic Nozzle Flow....Pages 241-250
Large Scale CFD for Complex Flows....Pages 251-260
Front Matter....Pages 213-213
Flow Simulations of an Axial Transonic Compressor Stage....Pages 261-273
Gyrokinetic Turbulence Simulations for Fusion Plasmas....Pages 275-289
A Parallel CFD Solver Using the Discontinuous Galerkin Approach....Pages 291-302
A-priori Analysis of the LMSE Micromixing Model for Filtered-Density Function Simulation in High Schmidt Number Flows....Pages 303-314
Characterization of the Dissipation Tensor from DNS of Grid-Generated Turbulence....Pages 315-323
Numerical Investigation of the Noise Emission from Serrated Nozzles in Coaxial Jets....Pages 325-334
Numerical Simulation of Fluid-Structure- and Fluid-Structure-Acoustic Interaction Based on a Partitioned Coupling Scheme....Pages 335-348
Large-Eddy Simulation of Plane Jet Injection into Supersonic Turbulent Crossflow....Pages 349-363
Simulation of the Flow around the Stratospheric Observatory for Infrared Astronomy SOFIA Using URANS and DES....Pages 365-375
Direct Numerical Simulation of Flame/Acoustic Interactions....Pages 377-385
Scaling Properties of Convective Turbulence....Pages 387-396
Parallel Free-Surface and Multi-Phase Simulations in Complex Geometries Using Lattice Boltzmann Methods....Pages 397-410
Dynamics of Heavy Particles in Turbulent Flows....Pages 411-419
Interactive Indoor Thermal Comfort Evaluation....Pages 421-430
DNS of Transition to Turbulence in a Linear Compressor Cascade....Pages 431-440
Front Matter....Pages 441-441
Some Applications of the PDE Solver FDEM with Error Estimate....Pages 443-457
waLBerla: The Need for Large-Scale Super Computers....Pages 459-473
Scalable Multigrid....Pages 475-483
RZBENCH: Performance Evaluation of Current HPC Architectures Using Low-Level and Application Benchmarks....Pages 485-501
Towards Scalable Parallel Numerical Algorithms and Dynamic Load Balancing Strategies....Pages 503-516
Front Matter....Pages 441-441
The HLRB Cluster as Quantum CISC Compiler....Pages 517-533
Concepts for Efficient Flow Solvers Based on Adaptive Cartesian Grids....Pages 535-549
Challenges and Potentials of Emerging Multicore Architectures....Pages 551-566
Front Matter....Pages 567-567
A p -Adaptive Discontinuous Galerkin Method with Local Time Steps for Computational Seismology....Pages 569-584
Predictability of Rayleigh-Number and Continental-Growth Evolution of a Dynamic Model of the Earth’s Mantle....Pages 585-600
Quantifying Uncertainties in Earthquake Scenario Ground Motion Calculations: Finite Source Effects....Pages 601-610
Front Matter....Pages 611-611
Dynamical Lattice QCD with Ginsparg-Wilson-Type Fermions....Pages 613-626
Simulation of N f =2+1 Lattice QCD at Realistic Quark Masses....Pages 627-638
Front Matter....Pages 639-639
Long-Range Chiral Recognition Due to Substrate Locking and Substrate-Adsorbate Charge Transfer....Pages 641-648
Quantum Transport within a Background Medium: Fluctuations versus Correlations....Pages 649-668
Quantum Monte Carlo Studies of Strongly Correlated Electron Systems....Pages 669-686
Charge Transport through Guanine Crystals....Pages 687-695
Electronic Charge and Orbital Reconstruction at Cuprate-Titanate Interfaces....Pages 697-707
Compensation Mechanisms and Functionality of Transition Metal Oxide Surfaces and Interfaces: A Density Functional Theory Study....Pages 709-717