High Performance Computing in Science and Engineering ´15: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2015

Front Matter....Pages i-ix
Front Matter....Pages 1-4
Thermodynamics with 2+1+1 Dynamical Quark Flavors....Pages 5-14
Numerical Evaluation of Multi-Loop Feynman Integrals....Pages 15-21
MCTDHB Physics and Technologies: Excitations and Vorticity, Single-Shot Detection, Measurement of Fragmentation, and Optimal Control in Correlated Ultra-Cold Bosonic Many-Body Systems....Pages 23-49
PAMOP Project: Petaflop Computations in Support of Experiments....Pages 51-74
Monte Carlo Simulation of Crystal-Liquid Phase Coexistence....Pages 75-87
A New Colloid Model for Dissipative-Particle-Dynamics Simulations....Pages 89-99
Force Field Optimization for Ionic Liquids: FFOIL....Pages 101-117
The Small Scale Structure of the Universe....Pages 119-134
Front Matter....Pages 135-137
Ab Initio Transport Calculations for Functionalized Graphene Flakes on a Supercomputer....Pages 139-154
Solving the Scattering Problem for the P3HT On-Chain Charge Transport....Pages 155-170
Ab-Initio Calculations of the Vibrational Properties and Dynamical Processes in Semiconductor Nanostructures....Pages 171-186
Large-Scale Modeling of Defects in Advanced Oxides: Oxygen Vacancies in BaZrO3 Crystals....Pages 187-198
Interfacial Properties and Growth Dynamics of Semiconductor Interfaces....Pages 199-213
Atomistic Simulation of Oligoelectrolyte Multilayers Growth....Pages 215-228
Mechanochemistry of Cyclopropane Ring-Opening Reactions....Pages 229-238
Front Matter....Pages 239-240
Computational Modeling of a Biocatalyst at a Hydrophobic Substrate Interface....Pages 241-253
Dynathor: Dynamics of the Complex of Cytochrome P450 and Cytochrome P450 Reductase in a Phospholipid Bilayer....Pages 255-264
Front Matter....Pages 265-266
Numerical Simulation of Turbulent Combustion with a Multi-Regional Approach....Pages 267-280
Numerical Simulations of Rocket Combustion Chambers on Massively Parallel Systems....Pages 281-292
Front Matter....Pages 293-300
High-Resolution Numerical Analysis of Turbulent Flow in Straight Ducts with Rectangular Cross-Section....Pages 301-313
Front Matter....Pages 293-300
Investigation of Convective Heat Transfer to Supercritical Carbon Dioxide with Direct Numerical Simulation....Pages 315-331
DNS Investigation of the Primary Breakup in a Conical Swirled Jet....Pages 333-347
Numerical Simulation of Subsonic and Supersonic Impinging Jets....Pages 349-369
On the Impact of Forward-Facing Steps on Disturbance Amplification in Boundary-Layer Flows....Pages 371-388
Large-Scale Simulations of a Non-generic Helicopter Engine Nozzle and a Ducted Axial Fan....Pages 389-405
Large-Eddy Simulation of a Scramjet Strut Injector with Pilot Injection....Pages 407-420
Turbulence Resolving Flow Simulations of a Francis Turbine with a Commercial CFD Code....Pages 421-433
Numerical Investigation of a Full Load Operation Point for a Low Head Propeller Turbine....Pages 435-447
Detached Eddy Simulation of Flow and Heat Transfer in Swirl Tubes....Pages 449-461
Evaluation and Control of Loads on Wind Turbines under Different Operating Conditions by Means of CFD....Pages 463-478
Advances in Parallelization and High-Fidelity Simulation of Helicopter Phenomena....Pages 479-494
Numerical Study of Three-Dimensional Shock Control Bump Flank Effects on Buffet Behavior....Pages 495-509
High Fidelity Scale-Resolving Computational Fluid Dynamics Using the High Order Discontinuous Galerkin Spectral Element Method....Pages 511-530
Toward a Discontinuous Galerkin Fluid Dynamics Framework for Industrial Applications....Pages 531-545
A High-Order Discontinuous Galerkin CFD Solver for Turbulent Flows....Pages 547-563
Mesoscale Simulations of Anisotropic Particles at Fluid-Fluid Interfaces....Pages 565-577
Highly Efficient Integrated Simulation of Electro-Membrane Processes for Desalination of Sea Water....Pages 579-590
Front Matter....Pages 591-592
Application of the Regional Climate Model CCLM for Studies on Urban Climate Change in Stuttgart and Decadal Climate Prediction in Europe and Africa....Pages 593-606
High-Resolution WRF Model Simulations of Critical Land Surface-Atmosphere Interactions Within Arid and Temperate Climates (WRFCLIM)....Pages 607-622
Do We Have to Update the Land-Use/Land-Cover Data in RCM Simulations? A Case Study for the Vu Gia-Thu Bon River Basin of Central Vietnam....Pages 623-635
Front Matter....Pages 637-639
On Estimation of a Viral Protein Diffusion Constant on the Curved Intracellular ER Surface....Pages 641-657
Application of Large-Scale Phase-Field Simulations in the Context of High-Performance Computing....Pages 659-674
Large Scale Numerical Simulations of Planetary Interiors....Pages 675-687
Coupled PIC-DSMC Simulations of a Laser-Driven Plasma Expansion....Pages 689-701