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High Performance Computing in Science & Engineering 2013

The 16th Results and Review Workshop of the HLRS, September 30 - October 1, 2013
at the High Performance Computing Center Stuttgart, Allmandring 30, 70569 Stuttgart

The fee for the workshop is € 150.00 including the proceedings (which will be delivered to the participants about 4 months after the workshop), coffee breaks, lunches and the workshop dinner. The fee will be invoiced just after the workshop.


Monday, September 30th, 2013

9:00 Welcome
Prof. Dr.-Ing. Dr. h.c. Dr. h.c. Michael M. Resch (Director of HLRS)

9:05 Opening
Prof. Dr. Wolfgang E. Nagel, Universität Dresden
(Chairman of the Steering Committee of HLRS)

Session 1: CFD
Chairman: Prof. Dr.-Ing. Ewald Krämer, Universität Stuttgart

9:15 Industrial Turbulence Simulations at Large Scale
Daniel F. Harlacher, Sabine Roller, Florian Hindenlang, Claus-Dieter Munz,
Tim Kraus, Martin Fischer, Koen Geurts, Matthias Meinke, Tobias Klühspies,
Yevgeniya Kovalenko, Uwe Küster
Simulationstechnik und Wissenschaftliches Rechnen, Universität Siegen

9:40 Direct numerical simulation of inelastic Non-Newtonian jet breakup
Chengxiang Zhu, Moritz Ertl, Christian Meister, Philipp Rauschenberger,
Andreas Birkefeld, Bernhard Weigand
Institut für Thermodynamik der Luft- und Raumfahrt, Universität Stuttgart

10:05 Direct numerical simulation of boundary layer transition in streamwise corner-flow
Oliver Schmidt, Björn Selent, Ulrich Rist
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

10:30 Break

10:45 Large-Eddy Simulation of the Particle-laden Turbulent Flow in a Cyclone Separator
M. Alletto and M. Breuer
Institut für Mechanik, Helmut-Schmidt Universität Hamburg

11:10 Efficient coupling of an Eulerian flow solver with a Lagrangian particle solver
for the investigation of particle clustering in turbulence
Christoph Siewert, Matthias Meinke, and Wolfgang Schröder
Institute of Aerodynamics, RWTH Aachen University

11:35 Lagrangian simulation of a fluid with solid particle loading
performed on supercomputers
Florian Beck, Florian Fleissner, Peter Eberhard
Institute of Engineering and Computational Mechanics, University of Stuttgart

12:00 Lunch

Session 2: CFD and Reacting Flows
Chairman: Prof. Dr. Dietmar H. Kröner, Universität Freiburg

13:00 Unsteady CFD Simulation of the NASA Common Research Model in Low Speed Stall
Philipp P. Gansel, Sebastian A. Illi, Stephan Krimmer, Thorsten Lutz and Ewald Krämer
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

13:25 Flow Simulation of a Francis Turbine using the SAS Turbulence Model
Timo Krappel, Albert Ruprecht and Stefan Riedelbauch
Institute of Fluid Mechanics and Hydraulic Machinery, University of Stuttgart

13:50 Highly Efficient Integrated Simulation of Electro-Membrane Processes
for Desalination of Sea Water
Kannan Masilamani, Harald Klimach and Sabine Roller
Simulationstechnik und wissenschaftliches Rechnen, Universität Siegen

14:15 Delayed Detached Eddy Simulation of a Rotationally Symmetric Supersonic Jet
Markus Kindler, Markus Lempke, Peter Gerlinger, Manfred Aigner
Institut für Verbrennungstechnik der Luft- und Raumfahrt, Universität Stuttgart

14:40 Impact of Grid Refinement on Turbulent Combustion and Combustion Noise
Modeling with Large Eddy Simulation
Feichi Zhang, Peter Habisreuther and Henning Bockhorn
Engler-Bunte-Institute / Combustion Technology, Karlsruhe Institute of Technology

15:05 Break

Session 3: Climate Research and Miscellaneous Topics
Chairman: Prof. Dr. Christoph Kottmeier, Karlsruher Institut für Technologie, Universität Karlsruhe

15:20 High-resolution climate predictions and short-range forecasts to improve the process
understanding and the representation of land-surface interactions in the WRF model
in southwest Germany (WRFCLIM)
Kirsten Warrach-Sagi, Hans-Stefan Bauer, Oliver Branch, Josipa Milovac,
Thomas Schwitalla and Volker Wulfmeyer
Institute of Physics and Meteorology, University of Hohenheim

15:45 High Resolution Climate Change Information for the Lower Mekong River Bain
of Southeast Asia
Patrick Laux, Van Tan Phan, Tran Thuc, Harald Kunstmann
Institute of Meteorology and Climate Research,
Atmospheric Environmental Research (IMK-IFU), Karlsruhe Institute of Technology

16:10 Geodynamic Mantle Modeling and its Relation to Origin and Preservation of Life
Uwe Walzer and Roland Hendel
Institut für Geowissenschaften, Friedrich-Schiller-Universität Jena

16:35 Magma Ocean Cumulate Overturn and its Implications for the Thermo-chemical
Evolution of Mars
Ana-Catalina Plesa, Nicola Tosi, and Doris Breuer
Institute of Planetary Research, University of Münster and German Aerospace Center (DLR)

17:00 Molecular modelling and simulation of electrolyte solutions, biomolecules,
and wetting of component surfaces
Martin Horsch, Stefan Becker, Juan Manuel Castillo, Stephan Deublein,
Agnes Fröscher, Steffen Reiser, Stephan Werth, Jadran Vrabec, and Hans Hasse
Lehrstuhl für Thermodynamik, Technische Universität Kaiserslautern

17:25 Focal Adhesion Kinase as a cellular mechano-sensor
Jing Zhou, Agnieszka Bronowska, Bogdan Costescu, Frauke Graeter
Molecular Biomechanics, Heidelberg Institute for Theoretical Studies

17:50 A highly scalable multigrid method with parallel direct coarse grid solver
for Maxwell's equations
Daniel Maurer, Christian Wieners
Institute for Applied and Numerical Mathematics 3, Karlsruhe Institute of Technology

18:15 Break

19:15 Workshop Dinner

Tuesday, October 1st, 2013

9:00 Poster Session
Chairman: Prof. Dr. Dietmar H. Kröner, Universität Freiburg

Discontinuous Galerkin for High Performance Computational Fluid Dynamics
Andrea Beck, Thomas Bolemann, Hannes Frank, Florian Hindenlang,
Marc Staudenmaier, Gregor Gassner, and Claus-Dieter Munz
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

LES of turbulent cavitating shear layers
Christian Egerer, Stefan Hickel, Steffen Schmidt, Nikolaus A. Adams
Aerodynamics and Fluid Mechanics, TU München

Large Eddy Simulation of Cavitating Flows using a Novel Stochastic Field Formulation
F. Magagnato and J. Dumond
Institut für Strömungslehre, Karlsruher Institut für Technologie

Computation of Helicopter Phenomena Using a Higher Order Method
Ulrich Kowarsch, Constantin Oehrle, Martin Hollands, Manuel Keßler, Ewald Krämer
Institute of Aerodynamics and Gas Dynamics, University of Stuttgart

3D CFD simulation of twin entry turbochargers in an engine environment
Benjamin Boose, Hans-Jürgen Berner, Michael Bargende
Institut für Verbrennungsmotoren und Kraftfahrwesen, Universität Stuttgart

Numerical Simulation of Flow with Volume Condensation in a Model Containment
J. Zhang and E. Laurien
Institut für Kernenergetik und Energiesysteme, Universität Stuttgart

DNS of Lean Premixed Flames
Jordan A. Denev and Henning Bockhorn
Engler-Bunte Institute, Combustion Division, Karlsruhe Institute of Technology

High Resolution Climate Modeling with the CCLM Regional Model
H.-J. Panitz, G. Fosser, R. Sasse, K. Sedlmeier, S. Mieruch, M. Breil, H. Feldmann,
G. Schädler
Institute of Meteorology and Climate Research, Karlsruhe Institute of Technology

RUCACI: Reducing the uncertainties of climate projections: High-resolution climate
modelling of aerosol and climate interactions on the regional scale using COSMO-ART
Tobias Schad, Andrew Ferrone, Bernhard Vogel
Institute for Meteorology and Climate Research, Karlsruhe Institute of Technology

Global Long-Term MIPAS Data Processing
M. Kiefer, F. Friederich, B. Funke, A. Linden, M. Lopez-Puertas, and T. von Clarmann
Institute for Meteorology and Climate Research, Karlsruhe Institute of Technology

The Agulhas System in a Global Context
Durgadoo and Biastoch
GEOMAR Helmholtz-Zentrum für Ozeanforschung Kiel

Optimal versus alternative economic capital allocation in banking
Hans-Peter Burghof, Jan Müller
Lehrstuhl für Bankwirtschaft und Finanzdienstleistungen, Universität Hohenheim

Surface tension, large scale thermodynamic data generation and vapor-liquid equilibria
of real compounds
Stefan Eckelsbach, Svetlana Miroshnichenko, Gabor Rutkai, Jadran Vrabec
Thermodynamik und Energietechnik, Universität Paderborn

Reduction of numerical sensitivities in crash simulations on HPC-Computers
Christiana Eck, Yevgeniya Kovalenko, Oliver Mangold, Raphael Prohl,
Anton Tkachuk, Vladimir Trickov
asc(s - Automotive Simulation Center Stuttgart

Investigation of a Parallel DSMC Implementation
M. Pfeiffer, A. Mirza, T. Stindl, S. Fasoulas, C.-D. Munz
Institut für Raumfahrtsysteme, Universität Stuttgart

A Dissipative-Particle-Dynamics Model for Simulating Dynamics of Charged Colloid
Jiajia Zhou and Friederike Schmid
Institut für Physik, Johannes Gutenberg-Universität Mainz

Heterogeneous and Homogeneous Crystallization of Soft Spheres in Suspension
Dominic Roehm, Kai Kratzer and Axel Arnold
Institute for Computational Physics, University of Stuttgart

Simplified models for coarse-grained hemodynamics simulations
J. Harting, F. Janoschek, B. Kaoui, T. Krüger, F. Toschi
Institute for Computational Physics, University of Stuttgart

Thermodynamics with 2+1+1 dynamical quark flavors
Stefan Krieg, Budapest-Wuppertal collaboration
Fachbereich C - Physik, Bergische Universität Wuppertal

Lithium niobate dielectric function and second-order polarizability tensor from
massively parallel ab initio calculations
A. Riefer, M. Rohrmüller, M. Landmann, S. Sanna, E. Rauls, N.J. Vollmers, R. Hölscher,
M. Witte, Y. Li, U. Gerstmann, A. Schindlmayr, W.G. Schmidt
Lehrstuhl für Theoretische Physik, Universität Paderborn

Acoustic and Elastic Full Waveform Tomography
A. Kurzmann, S. Butzer, S. Jetschny, A. Przebindowska, L. Groos, M. Schäfer,
S. Heider, and T. Bohlen
Geophysical Institute, Karlsruhe Institute of Technology

Ab-initio calculations of the vibrational properties of nanostructures
Gabriel Bester and Peng Han
Theory of Semiconductor Nanostructures,
Max Planck Institute for Solid State Research, Stuttgart

Numerical studies of the tunneling splitting of malonaldehyde
and the eigenstates of hydrated hydroxide anion using MCTDH
Markus Schröder, Daniel Peláez, Hans-Dieter Meyer
Physikalisch-Chemisches Institut, Universität Heidelberg

10:09 Poster Exhibit

10:45 Poster Discussion

11:00 Break

11:15 Tutorial: Dr. Stephen Sachs, Cray, „Introducing Cray XC30“

12:00 Guided Tour - HLRS Supercomputer Facilities & Virtual Reality

13:15 Lunch

Session 4: Physics
Chairman: Prof. Dr. Peter Nielaba, Universität Konstanz

14:05 Phase Separation of Colloid Polymer Mixtures Under Confinement
Antonia Statt, Alexander Winkler, Peter Virnau and Kurt Binder
Institut für Physik, Johannes Gutenberg-Universität Mainz

14:30 Unconventional fractionalization of strongly correlated electrons
A. Moreno, J.M.P. Carmelo, and A. Muramatsu
Institut für Theoretische Physik III, Universität Stuttgart

14:55 Numerically-Exact Schrödinger Dynamics of Closed and Open Many-Boson Systems
with the MCTDHB Package
Axel U. J. Lode, Ofir E. Alon, Kaspar Sakmann, Julian Grond, Rostislav A. Doganov,
Alexej I. Streltsov, and Lorenz S. Cederbaum
Theoretische Chemie, Universität Heidelberg

15:20 Particle simulation in turbulent plasmas with amplified wavemodes
Sebastian Lange and Felix Spanier
Institut für Theoretische Physik und Astrophysik, Universität Würzburg

15:45 Break

Session 5: Solid State Physics and Chemistry
Chairman: Prof. Dr. Christoph van Wüllen, Universität Kaiserslautern

15:55 Molecular Dynamics Simulations with Long-Range Interactions
Johnnes Roth, Philipp Beck, Peter Brommer, Andreas Chatzopoulos,
Franz Gähler, Stephen Hocker, Siegfried Schmauder, Hans-Rainer Trebin
Institut für Funktionelle Materialien und Quantentechnologien, Universität Stuttgart

16:20 Polarization dependent water adsorption on the lithium niobate Z-cut surfaces
S. Sanna, A. Riefer, M. Rohrmüller, M. Landmann, E. Rauls, N.J. Vollmers,
R Hölscher, M. Witte, Y. Li, U. Gerstmann, W.G. Schmidt
Lehrstuhl für Theoretische Physik, Universität Paderborn

16:45 GaPSi: From Molecules to Thin Films - GaP Nucleation on Si Substrates
Andreas Stegmüller and Ralf Tonner
Fachbereich Chemie, Philipps-Universität Marburg

17:10 Efficient calculation of multi-dimensional potential energy surfaces of molecules
and molecular clusters
Michael Neff, Dominik Oschetzki, Yuriy Yudin, Yevgen Dorozhko,
Natalia Currle-Linde, Michael Resch, and Guntram Rauhut
Institute of Theoretical Chemistry, University of Stuttgart

17:35 Awarding of Golden Spikes of HLRS

17:50 End