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High Performance Computing in Science & Engineering 2014

The 17th Results and Review Workshop of the HLRS, Sept. 29 - Sept. 30, 2014
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.

Online Registration

Deadline: September 23th, 2014

Please register twice in case you have a separate billing address for the workshop fee and mark your second registration with "billing address" or "Rechnungsadresse" !

The webpage will directly confirm your successful registration. Confirmation email is not provided.

Location

HLRS, Allmandring 30, 70569 Stuttgart

Accomodation

A list of hotels can be found here

Agenda

— preliminary —


Monday, September 29th, 2014

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 Towards large multi-scale particle simulations with conjugate heat transfer on
heterogeneous super computers
Gonzalo Brito Gadeschi, Christoph Siewert, Andreas Lintermann, Matthias Meinke,
and Wolfgang Schröder
Institute of Aerodynamics, RWTH Aachen University

9:40 A parallelized method for Direct Numerical Simulations of rigid particles in multiphase flow
Philipp Rauschenberger, Andreas Birkefeld, Martin Reitzle, Christian Meister, and Bernhard Weigand
Institut für Thermodynamik der Luft- und Raumfahrt, Universität Stuttgart

10:05 Certain Aspects of Conditional Moment Closure for Spray Flame Modelling
S. Ukai, A. Kronenburg, and O.T. Stein
Institut für Technische Verbrennung, Universität Stuttgart

10:30 Break

10:45 LES of temporally evolving turbulent cavitating shear layers
Christian Egerer, Stefan Hickel, Steffen Schmidt, and Nikolaus A. Adams
Institute of Aerodynamics and Fluid Mechanics, Technische Universität München

11:10 Investigations of unsteady transonic and supersonic wake flow of generic space
launcher configurations using zonal RANS/LES and dynamic mode decomposition
V. Statnikov, T. Sayadi, M. Meinke, P. Schmid, and W. Schröder
Chair of Fluid Mechanics and Institute of Aerodynamics, RWTH Aachen University

11:35 CFD Simulations of Wind Turbines Operating Offshore and in Complex TCFD
Performance Analyses of Wind Turbines Operating in Complex Environments
Pascal Weihing, Christoph Schulz, Thorsten Lutz, and Ewald Krämer
Institute of Aerodynamics and Gas Dynamics, University of Stuttgart

12:00 Enhancement and Applications of a Structural URANS Solver
Christian Stanger, Benjamin Kutz, Ulrich Kowarsch, E. Rebecca Busch, Manuel Kessler,
and Ewald Krämer
Institute of Aerodynamics and Gas Dynamics, University of Stuttgart

12:25 Lunch

Session 2: CFD and Reacting Flows
Chairman: Prof. Dr.-Ing. Ewald Krämer, Universität Stuttgart

13:25 Discontinuous Galerkin for High Performance Computational Fluid Dynamics
Muhammed Atak, Andrea Beck, David Flad, Hannes Frank, Florian Hindenlang and Claus-Dieter Munz
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

13:50 DNS / LES studies of turbulent flows based on the Cumulant Lattice Boltzmann approach
Manfred Krafczyk, Kostyantyn Kucher, Ying Wang, and Martin Geier
Institut für rechnergestützte Modellierung im Bauingenieurwesen, Technische Universität Braunschweig

14:15 Highly Efficient Integrated Simulation of Electro-Membrane Processes for Desalination of SeaWater
Kannan Masilamani, Jens Zudrop, Matthias Johannink, Harald Klimach, and Sabine Roller
Simulationstechnik und wissenschaftliches Rechnen, Universität Siegen

14:40 Direct Numerical Simulation of Chemically Reacting Flows with the Public Domain Code OpenFOAM
Feichi Zhang, Henning Bonart, Thorsten Zirwes, Peter Habisreuther, Henning Bockhorn, and Nikolaos Zarzalis
Engler-Bunte-Institut / Verbrennungstechnik, Karlsruher Institut für Technologie

15:05 Lean Premixed Flames - a Direct Numerical Simulation Study of the Effect of Lewis Number
at Large Scale Turbulence
Jordan A. Denev, Iliyana Naydenova, and Henning Bockhorn
Engler-Bunte-Institut / Verbrennungstechnik, Karlsruher Institut für Technologie

15:30 Break

Session 3: Climate Research and Miscellaneous Topics
Chairman:

15:45 High Resolution Climate Modeling with the CCLM Regional Model for Europe and Africa
H.-J. Panitz, G. Schädler, M. Breil, S. Mieruch, H. Feldmann, K. Sedlmeier, N. Laube, and M. Uhlig
Institut für Meterorologie und Klimaforschung (IMK), Karlsruher Institut für Technologie (KIT)

16:10 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
Kirsten Warrach-Sagi, Hans-Stefan Bauer, Thomas Schwitalla, Josipa Milovac, Oliver Branch,
and Volker Wulfmeyer
Institut für Physik und Meteorologie, Universität Hohenheim

16:35 Direct numerical simulation of breaking atmospheric gravity waves
S. Remmler, S. Hickel, M. D. Fruman, and U. Achatz
Institute of Aerodynamis and Fluid Mechanics, Technische Universität München

17:00 Thermo-chemical Mantle Convection Simulations using Gaia
Ana-Catalina Plesa, Christian Hüttig, Nicola Tosi, and Doris Breuer
Institute of Planetary Research, German Aerospace Center and University of Münster

17:25 Phase-field simulations of large-scale microstructures by integrated parallel algorithms
Johannes Hötzer, Marcus Jainta, Alexander Vondrous, Jörg Ettrich, Anastasia August,
Daniel Stubenvoll, Mathias Reichardt, Michael Selzer, and Britta Nestler
Institute of Materials and Processes, Hochschule Karlsruhe Technik und Wirtschaft

17:50 Distributed FE Analysis of Multiphase Composites for Linear and Nonlinear Material Behaviour
Kai Schrader, Andrea Keßler, and Carsten Könke
Institut für Strukturmechanik, Bauhaus-Universität Weimar

18:15 Break

19:15 Workshop Dinner


Tuesday, September 30th, 2014

9:00 Poster Session
Chairman:

Numerical simulation of impinging jets
Robert Wilke and Jörn Sesterhenn
Fachgebiet Numerische Fluiddynamik, Technische Universität Berlin

Near-wake behavior of discrete-roughness arrays in 2-d and 3-d laminar boundary layers
Holger B. E. Kurz and Markus J. Kloker
Institut für Aerodynamik und Gasdynamik, Universität Stuttgart

Comparative numerical investigation of a sonic jet in a supersonic turbulent crossflow
S. Eberhardt and S. Hickel
Institute of Aerodynamics and Fluidmechanics, Technische Universität Mtünchen

Large Eddy Simulation Analysis of Turbulent Mixing of Fluids in a T-Junction Piping System
P. Karthick Selvam, Rudi Kulenovic, and Eckart Laurien
Institute of Nuclear Technology and Energy Systems, University of Stuttgart

Flow Simulation of Francis Turbines using Hybrid RANS-LES Turbulence Models
Timo Krappel, Albert Ruprecht, and Stefan Riedelbauch
Institute of Fluid Mechanics and Hydraulic Machinery, University of Stuttgart

Impact of 3D Shock Control Bumps on Transonic Buffet
S. Bogdanski, P. Gansel, T. Lutz, and E. Krämer
Institute of Aerodynamics and Gas Dynamics, University of Stuttgart

Simulation of a flow in a gas turbine exhaust diffuser with advanced turbulence models
Silke Brouwer and Damian Vogt
Institute of Thermal Turbomachinery and Machinery Laboratory, University of Stuttgart

3D Numerical Simulation of Flow with Volume Condensation in Presence of Non-Condensable
Gases inside a PWR Containment
Jing Zhang
Institute of Nuclear Technology and Energy Systems (IKE), University of Stuttgart

Mesoscale simulations of fluid-fluid interfaces
T. Krüger, S. Frijters, F. Günther, B. Kaoui, and J. Harting
Institute for Computational Physics, University of Stuttgart

Parallelization and Performance Analysis of an Implicit Compressible Combustion
Code for Aerospace Applications
Roman Keller, Markus Lempke, Yann Hendrik Simsonst, Peter Gerlinger, and Manfred Aigner
Institut für Verbrennungstechnik der Luft- und Raumfahrt, Universität Stuttgart

Molecular models for cyclic alkanes and ethyl acetate as well as surface tension data
from molecular simulation
Stefan Eckelsbach, Tatjana Janzen, Andreas Köster, Svetlana Miroshnichenko,
Yonny Mauricio Muñoz-Muñoz, and Jadran Vrabec
Thermodynamik und Energietechnik (ThEt), Universität Paderborn

Parallel Performance of a Discontinuous Galerkin Spectral Element Method based PIC-DSMC Solver
P. Ortwein, T. Binder, S. Copplestone, A. Mirza, P. Nizenkov, M. Pfeiffer, T. Stindl,
S. Fasoulas, and C.-D. Munz
Institut für Raumfahrtsysteme, Universität Stuttgart

Simulation of Vascular Tumour Growth and Angiogenesis Using a Multiscale Model
Bernd-Simon Dengel, Holger Perfahl, Simona Galliani, and Matthias Reuss
Stuttgart Research Center Systems Biology, University of Stuttgart

Homogeneous and Heterogeneous Crystallization of Charged Colloidal Particles
Kai Kratzer, Dominic Roehm, and Axel Arnold
Institute for Computational Physics, University of Stuttgart

Quantum many-body dynamics of trapped bosonic systems with the MCTDHB package:
Towards new horizons with novel physics
Shachar Klaiman, Axel U. J. Lode, Kaspar Sakmann, Oksana I. Streltsova, Ofir E. Alon,
Lorenz S. Cederbaum, and Alexej I. Streltsov
Theoretical Chemistry, Universität Heidelberg

Acoustic and Elastic Full Waveform Tomography
André Kurzmann, Simone Butzer, and Thomas Bohlen
Geophysical Institute, Karlsruhe Institute of Technology

Nanoflare Heating in the Solar Corona
Sven Bingert and Hardi Peter
Max-Planck-Institut für Sonnensystemforschung, Göttingen

High-Level Support Activities of Simulation Laboratory E&A Particles
G. Poghosyan, S. Sharma, A. Kaur, V. Jindal, P. Bisht, A. Streit, M. Bejger, A. Królak,
T. Klaehn, S. Typel, J. Oehlschläger, T. Pierog, and R. Engel
Steinbuch Centre for Computing, Karlsruhe Institute of Technology

Surface charge of clean LiNbO3 Z-cut surfaces
S. Sanna, U. Gerstmann, E. Rauls, Y. Li, M. Landmann, A. Riefer, M. Rohrmüller, N.J. Vollmers,
M. Witte, R. Hölscher, A. Lücke, C. Braun, S. Neufeld, K. Holtgrewe, and W.G. Schmidt
Theoretische Physik, Universität Paderborn

The fluorite/water interfaces: structure and spectroscopy from first principles simulations
Remi Khatib and Marialore Sulpizi
Physics Institute, Johannes Gutenberg-University Mainz

Large-scale modeling of defects in advanced oxides
E. Kotomin
Dept. of Physical Chemistry, Max Planck Institute for Solid State Research, Stuttgart

10:03 Poster Exhibit

10:45 Poster Discussion

11:00 Break

11:15 Tutorial: N.N., Cray Inc., „Hornet - The new Cray XC30 supercomputer at HLRS“

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

13:15 Lunch

Session 4: Physics
Chairman:

14:05 Investigation of finite-size effects in the determination of interfacial tensions
Fabian Schmitz, Antonia Statt, Peter Virnau, and Kurt Binder
Institut für Physik, Johannes Gutenberg-Universität Mainz

14:30 Application of Tunable-slip Boundary Conditions in Particle-based Simulations
Jiajia Zhou, Jens Smiatek, Evgeny S. Asmolov, Olga I. Vinogradova, and Friederike Schmid
Institut für Physik, Johannes Gutenberg-Universität Mainz

14:55 Petascale computations for Large-scale Atomic and Molecular collisions
B. M. McLaughlin, C. P. Ballance, M. S. Pindzola, S. Schippers, and A. Müller
Centre for Theoretical Atomic, Molecular and Optical Physics (CTAMOP),
School of Mathematics & Physics, Queen's University of Belfast
and Institut für Atom- und Molekülphysik, Justus-Liebig-Universität Giessen

15:20 Thermodynamics with 2+1+1 dynamical quark flavors
Stefan Krieg, Budapest-Wuppertal collaboration
Fachbereich C - Physik, Bergische Universität Wuppertal

15:45 Break

Session 5: Molecules, Surfaces, and Solids
Chairman:

15:55 Molecular Dynamics Simulations of laser induced ablation for micro propulsion
Daniel J. Förster, Stefan Scharring, Johannes Roth, and Hans-Albert Eckel
Institut für Funktionelle Materialien und Quantentechnologien, Universität Stuttgart

16:20 MD-Simulations on metallic alloys
Martin Hummel, Alen-Pilip Prskalo, Peter Binkele, and Siegfried Schmauder
Institut für Materialprüfung, Werkstoffkunde und Festigkeitslehre, Universität Stuttgart

16:45 Adsorption and electronic excitation of water on TiO2 (110):
Calculation of high-dimensional potential energy surfaces
Jan Mitschker and Thorsten Klüner
Institut für Chemie, Theoretische Chemie, Carl von Ossietzky Universität Oldenburg

17:10 GaP/Si: Studying Semiconductor Growth Characteristics with Realistic Quantum-Chemical Models
Andreas Stegmüller and Ralf Tonner
Fachbereich Chemie, Philipps-Universität Marburg

17:35 Awarding of Golden Spikes of HLRS

17:50 End