High Performance Computing in Science and Engineering ´16

Part I. Physics

1. The Illustris++ Project: The Next Generation of Cosmological Hydrodynamical Simulations of Galaxy Formation
Volker Springel, Annalisa Pillepich, Rainer Weinberger, Rüdiger Pakmor, Lars Hernquist, Dylan Nelson, Shy Genel, Mark Vogelsberger, Federico Marinacci, Jill Naiman, Paul Torrey

2. Hydrangea: Simulating a Representative Population of Massive Galaxy Clusters

3. PAMOP Project: Computations in Support of Experiments and Astrophysical Applications
B. M. McLaughlin, C. P. Ballance, M. S. Pindzola, P. C. Stancil, S. Schippers, A. Müller

4. Estimation of Nucleation Barriers from Simulations of Crystal Nuclei Surrounded by Fluid in Equilibrium
Antonia Statt, Peter Koß, Peter Virnau, Kurt Binder

5. The Internal Dynamics and Early Adsorption Stages of Fibrinogen Investigated by Molecular Dynamics Simulations
Stephan Köhler, Friederike Schmid, Giovanni Settanni

6. Vorticity, Variance, and the Vigor of Many-Body Phenomena in Ultracold Quantum Systems: MCTDHB and MCTDH-X
Ofir E. Alon, Raphael Beinke, Lorenz S. Cederbaum, Matthew J. Edmonds, Elke Fasshauer, Mark A. Kasevich, Shachar Klaiman, Axel U. J. Lode, Nick G. Parker, Kaspar Sakmann, Marios C. Tsatsos, Alexej I. Streltsov

7. Nucleon Observables as Probes for Physics Beyond the Standard Model
Constantia Alexandrou, Karl Jansen, Giannis Koutsou, Carsten Urbach

8. Numerical Evaluation of Multi-loop Feynman Integrals
Peter Marquard, Matthias Steinhauser

Part II. Molecules, Interfaces, and Solids

9. Mechanochemistry of Ring-Opening Reactions: From Cyclopropane in the Gas Phase to Thiotic Acid on Gold in the Liquid Phase
Martin Zoloff Michoff, Miriam Wollenhaupt, Dominik Marx

10. Microscopic Insights into the Fluorite/Water Interfaces from Vibrational Sum Frequency Generation Spectroscopy
Rémi Khatib, Marialore Sulpizi

11. Growth, Structural and Electronic Properties of Functional Semiconductors Studied by First Principles
Andreas Stegmüller, Phil Rosenow, Josua Pecher, Nikolay Zaitsev, Ralf Tonner

12. Submonolayer Rare Earth Silicide Thin Films on the Si(111) Surface
S. Sanna, C. Dues, U. Gerstmann, E. Rauls, D. Nozaki, A. Riefer, M. Landmann, M. Rohrmüller, N. J. Vollmers, R. Hölscher, A. Lücke, C. Braun, S. Neufeld, K. Holtgrewe, W. G. Schmidt

13. Computational Analysis of Li Diffusion in NZP-Type Materials by Atomistic Simulation and Compositional Screening
Daniel Mutter, Britta Lang, Benedikt Ziebarth, Daniel Urban, Christian Elsässer

14. Molecular Dynamics Simulations of Silicon: The Influence of Electron-Temperature Dependent Interactions
Alexander Kiselev, Johannes Roth, Hans-Rainer Trebin

15. Non-linear Quantum Transport in Interacting Nanostructures
Benedikt Schoenauer, Peter Schmitteckert

Part III. Reactive Flows

16. A DNS Analysis of the Correlation of Heat Release Rate with Chemiluminescence Emissions in Turbulent Combustion
Feichi Zhang, Thorsten Zirwes, Peter Habisreuther, Henning Bockhorn

17. Direct Numerical Simulation of Non-premixed Syngas Combustion Using OpenFOAM
Son Vo, Andreas Kronenburg, Oliver T. Stein, Evatt R. Hawkes

18. Numerical Simulations of Rocket Combustion Chambers with Supercritical Injection
Martin Seidl, Roman Keller, Peter Gerlinger, Manfred Aigner

19. Two-Zone Fluidized Bed Reactors for Butadiene Production: A Multiphysical Approach with Solver Coupling for Supercomputing Application
Matthias Hettel, Jordan A. Denev, Olaf Deutschmann

Part IV. Computational Fluid Dynamics

20. High-Pressure Real-Gas Jet and Throttle Flow as a Simplified Gas Injector Model Using a Discontinuous Galerkin Method
Fabian Hempert, Sebastian Boblest, Malte Hoffmann, Philipp Offenhäuser, Filip Sadlo, Colin W. Glass, Claus-Dieter Munz, Thomas Ertl, Uwe Iben

21. Modeling of the Deformation Dynamics of Single and Twin Fluid Droplets Exposed to Aerodynamic Loads
Lars Wieth, Samuel Braun, Geoffroy Chaussonnet, Thilo F. Dauch, Marc Keller, Corina Höfler, Rainer Koch, Hans-Jörg Bauer

22. Smoothed Particle Hydrodynamics for Numerical Predictions of Primary Atomization
Samuel Braun, Rainer Koch, Hans-Jörg Bauer

23. Towards Solving Fluid Flow Domain Identification Problems with Adjoint Lattice Boltzmann Methods
Mathias J. Krause, Benjamin Förster, Albert Mink, Hermann Nirschl

24. Investigation on Air Entrapment in Paint Drops Under Impact onto Dry Solid Surfaces
Qiaoyan Ye, Oliver Tiedje

25. Numerical Study of the Impact of Praestol® Droplets on Solid Walls
Martin Reitzle, Norbert Roth, Bernhard Weigand

26. Turbulent Skin-Friction Drag Reduction at High Reynolds Numbers
Davide Gatti

27. Control of Spatially Developing Turbulent Boundary Layers for Skin Friction Drag Reduction
Alexander Stroh

28. Scalability of OpenFOAM with Large Eddy Simulations and DNS on High-Performance Systems
Gabriel Axtmann, Ulrich Rist

29. Numerical Simulation of Subsonic and Supersonic Impinging Jets II
Robert Wilke, Jörn Sesterhenn

30. Aeroacoustic Simulations of Ducted Axial Fan and Helicopter Engine Nozzle Flows
Alexej Pogorelov, Mehmet Onur Cetin, Seyed Mohsen Alavi Moghadam, Matthias Meinke, Wolfgang Schröder

31. Adding Hybrid Mesh Capability to a CFD-Solver for Helicopter Flows
Ulrich Kowarsch, Timo Hofmann, Manuel Keßler, Ewald Krämer

32. Direct Numerical Simulation of Heated Pipe Flow with Strong Property Variation
Xu Chu, Eckart Laurien, Sandeep Pandey

33. CFD Analysis of Fast Transition from Pump Mode to Generating Mode in a Reversible Pump Turbine
Christine Stens, Stefan Riedelbauch

34. Scale Resolving Flow Simulations of a Francis Turbine Using Highly Parallel CFD Simulations
Timo Krappel, Stefan Riedelbauch

35. CFD Simulations of Thermal-Hydraulic Flows in a Model Containment: Phase Change Model and Verification of Grid Convergence
Abdennaceur Mansour, Christian Kaltenbach, Eckart Laurien

36. Simulations of Unsteady Aerodynamic Effects on Innovative Wind Turbine Concepts
Annette Fischer, Levin Klein, Thorsten Lutz, Ewald Krämer

Part V. Transport and Climate

37. Simulation of the Rain Belt of the West African Monsoon (WAM) in High Resolution CCLM Simulation
Diarra Dieng, Gerhard Smiatek, Dominikus Heinzeller, Harald Kunstmann

38. Anthropogenic Aerosol Emissions and Rainfall Decline in South-West Australia
Dominikus Heinzeller, Wolfgang Junkermann, Harald Kunstmann

39. High-Resolution Climate Projections Using the WRF Model on the HLRS
Viktoria Mohr, Kirsten Warrach-Sagi, Thomas Schwitalla, Hans-Stefan Bauer, Volker Wulfmeyer

40. Biogeophysical Impacts of Land Surface on Regional Climate in Central Vietnam
Ngoc Bich Phuong Nguyen, Harald Kunstmann, Patrick Laux, Johannes Cullmann

41. Reducing the Uncertainties of Climate Projections: High-Resolution Climate Modeling of Aerosol and Climate Interactions on the Regional Scale Using COSMO-ART: Interaction of Mineral Dust with Atmospheric Radiation over West-Africa
Bernhard Vogel, Hans-Juergen Panitz, Heike Vogel

Part VI. Miscellaneous Topics

42. Molecular Simulation Study of Transport Properties for 20 Binary Liquid Mixtures and New Force Fields for Benzene, Toluene and CCl4

Gabriela Guevara-Carrion, Tatjana Janzen, Y. Mauricio Muñoz-Muñoz, Jadran Vrabec

43. Large-Scale Phase-Field Simulations of Directional Solidified Ternary Eutectics Using High-Performance Computing
J. Hötzer, M. Kellner, P. Steinmetz, J. Dietze, B. Nestler

44. Seismic Applications of Full Waveform Inversion
A. Kurzmann, L. Gaßner, N. Thiel, M. Kunert, R. Shigapov, F. Wittkamp, T. Bohlen, T. Metz

45. A Massively Parallel Multigrid Method with Level Dependent Smoothers for Problems with High Anisotropies
Sebastian Reiter, Andreas Vogel, Arne Nägel, Gabriel Wittum

Keywords: Mathematics, Computational Science and Engineering, Theoretical, Mathematical and Computational Physics, Appl.Mathematics/Computational Methods of Engineering, Theoretical and Computational Chemistry, Simulation and Modeling, Mathematical Applications in Computer Science