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Research & Science
High Performance Computing in Science & Engineering - 22nd Results and Review Workshop of the HLRS
Registration
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Agenda
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Monday, October 7th, 2019 |
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| 9:00 |
Welcome Prof. Dr.-Ing. Dr. h.c. Dr. h.c. Hon. Prof. Michael M. Resch (Director of HLRS) |
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| 9:05 |
Opening Prof. Dr. Wolfgang E. Nagel, Universität Dresden (Chairman of the Steering Committee of HLRS) |
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Session 1: CFD Chairman: Prof. Dr.-Ing. Ewald Krämer, Universität Stuttgart |
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| 9:15 |
Direct Numerical Simulation of Supersonic Film Cooling by Tangential Blowing Johannes M.F. Peter and Markus J. Kloker Institut für Aerodynamik und Gasdynamik, Universität Stuttgart |
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| 9:35 |
Simulation of Particulate Flows Konstantin Fröhlich, Matthias Meinke, and Wolfgang Schröder Institute of Aerodynamics, RWTH Aachen University |
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| 9:55 |
Fully Resolved Autoigniting Transient Jet Flame Simulation Eray Inanc and Andreas M. Kempf Institut für Verbrennung und Gasdynamik, Universität Duisburg Essen |
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| 10:15 |
On Parallelization Strategies for Multiple Representative Interactive Flamelets Combustion Models Marco Davidovic, Mathis Bode, and Heinz Pitsch Institut für Technische Verbrennung (ITV), RWTH Aachen |
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| 10:35 | Break |
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| 10:55 |
Direct Numerical Simulation of a Wind-generated Water Wave J. Steigerwald, J. Reutzsch, M. Ibach, M. Baggio, A. Seck, B.K. Haus, and B. Weigand Institute of Aerospace Thermodynamics, University of Stuttgart |
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| 11:15 |
Interface-resolved direct numerical simulation of turbulent flow over porous media Xu Chu, Johannes Müller, and Bernhard Weigand Institut für Thermodynamik der Luft- und Raumfahrt (ITLR), Universität Stuttgart |
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| 11:35 |
Towards high-fidelity multiphase simulations: On the use of modern data structures on high performance computers F. Föll, T. Hitz, J. Keim, and C.-D. Munz Institute of Aerodynamics and Gas Dynamics, University of Stuttgart |
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| 11:55 |
Uncertainty Quantification in High Performance Computational Fluid Dynamics Andrea Beck, Jakob Dürrwächter, Thomas Kuhn, Fabian Meyer, Claus-Dieter Munz, and Christian Rohde Institute of Aerodynamics and Gas Dynamics, University of Stuttgart |
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| 12:15 | Lunch |
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Session 2: Reactive Flows, Transport and Climate Research Chairman: Prof. Dr. Dietmar H. Kröner, Universität Freiburg |
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| 13:15 |
Towards full resolution of spray breakup in flash atomization conditions using DNS D. Loureiro, J. Reutzsch, A. Kronenburg, B. Weigand, and K. Vogiatzaki Institut für Technische Verbrennung (ITV), Universität Stuttgart |
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| 13:35 |
Predictive Models for Extremes and High Impact Weather under Climate Change Evaluation of the Multi-scale Impact of Soil-Atmosphere Feedbacks Samiro Khodayar, Sebastian Helgert, and Alberto Caldas-Alvarez Institute of Meteorology and Climate Research, Karlsruhe Institute of Technology (KIT) |
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| 13:55 |
WRF simulations to investigate processes across scales (WRFSCALE) Hans-Stefan Bauer, Thomas Schwitalla, Oliver Branch, Rohith Thundathil, and Stephan Adam Institute of Physics and Meteorology, University of Hohenheim |
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| 14:15 |
Dynamical downscaling of seasonal climate forecasts for better-informed management of the water resources in semi-arid regions Patrick Laux, Tanja Portele, Christof Lorenz, and Harald Kunstmann Institute of Meteorology and Climate Research, Karlsruhe Institute of Technology (KIT) |
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| 14:35 | Break |
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Session 3: Materials Research and Miscellaneous Topics Chairman: Univ.-Prof. Dr.-Ing. Wolfgang Schröder, RWTH Aachen |
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| 14:50 |
Annual report "SimMag" Anika Marusczyk, Holger Wüst, and Tim Kolb Computational Materials Engineering, Robert Bosch GmbH |
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| 15:10 |
Annual report "Intercon" Anika Marusczyk, Senja Ramakers, Matthias Kappeler, Patricia Haremski, Matthias Wieler, and Piero Lupetin Computational Materials Engineering, Robert Bosch GmbH |
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| 15:30 |
Accelerating phase-field simulations for HPC systems Marco Seiz, Johannes Hötzer, Henrik Hierl, Andreas Reiter, Katharina Schratz, and Britta Nestler Institute of Applied Materials (IAM), Karlsruhe Institute of Technology (KIT) |
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| 15:50 |
HLRS Status Report Christian Wieners, Lydia Wagner, Julian Krämer, Daniel Ziegler, Laura Lindner, Johannes Ernesti, Christian Rheinbay, and Jonathan Fröhlich Institut für Angewandte und Numerische Mathematik, Karlsruher Institut für Technologie |
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| 16:10 | Break |
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| 16:25 |
Load Balancing and Auto-Tuning for Heterogeneous Particle Systems using ls1 mardyn Steffen Seckler, Fabio Gratl, Nikola Tchipev, Matthias Heinen, Jadran Vrabec, Hans-Joachim Bungartz, and Philipp Neumann Department of Informatics, SCCS, Technical University of Munich |
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| 16:45 |
Dynathor: Dynamics of the Complex of Cytochrome P450 and Cytochrome P450 Reductase in a Phospholipid Bilayer Goutam Mukherjee, Prajwal Nandekar, Ghulam Mustafa, Stefan Richter, and Rebecca C. Wade Heidelberg Institute for Theoretical Studies (HITS) |
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| 17:05 | Break |
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| 17:10 | Poster Session Numerical analysis of relaminarization in turbulent channel flow Sandeep Pandey and Eckart Laurien Institute of Nuclear Technology and Energy Systems (IKE), University of Stuttgart Airfoil Drag Reduction by Surface Actuation Marian Albers, Matthias Meinke, and Wolfgang Schröder Institute of Aerodynamics, RWTH Aachen University High Performance Computations of Rotorcraft Aerodynamics with the Flow Solver FLOWer Constantin Öhrle, Johannes Letzgus, Manuel Keßler, and Ewald Krämer Institute of Aerodynamics and Gas Dynamics, University of Stuttgart DNS of a compressible impinging jet with fully turbulent inlet conditions Gabriele Camerlengo and Jörn Sesterhenn Institut für Strömungsmechanik und Technische Akustik, Technische Universität Berlin Numerical Simulation of the FNG Wing Section in Turbulent Inflow Jens Müller, Maximilian Ehrle, Thorsten Lutz, and Ewald Krämer Institute of Aerodynamics and Gas Dynamics, University of Stuttgart Influence of the flow physics on the load balancing during SPH simulations G. Chaussonnet, T. Dauch, M. Keller, M. Okraschevski, C. Ates, C. Schwitzke, R. Koch, and H.-J. Bauer Institut für Thermische Strömungsmaschinen, Karlsruher Institut für Technologie Investigating the disperse phase structure in turbulent particulate flows Agathe Chouippe, Aman G. Kidanemariam, Michael Krayer, Markus Scherer, and Markus Uhlmann ICUBE, Fluid Mechanics Group, Université de Strasbourg, France Department of Mechanical Engineering, University of Melbourne, Australia Institute for Hydromechanics, Karlsruhe Institute of Technology, Germany Enhancing OpenFOAM's Performance on HPC Systems Thorsten Zirwes, Feichi Zhang, Jordan A. Denev, Peter Habisreuther, Henning Bockhorn, and Dimosthenis Trimis Steinbuch Centre for Computing, Karlsruher Institut für Technologie Regional Climate Simulations with COSMO-CLM: CORDEX FPS Convection and Heat Stress in Cities G. Schädler, H.-J. Panitz, and B. Brecht Institute of Meteorology and Climate Research, Department Troposphere Research, Karlsruhe Institute of Technology The role of soil moisture and surface- and subsurface water flows on predictability of convection Joel Arnault and Harald Kunstmann Institute of Meteorology and Climate Research Atmospheric Environmental Research, Karlsruhe Institute of Technology KKRnano: Quantum description of skyrmions in chiral B20 magnets Marcel Bornemann, Roman Kovacik, Rudolf Zeller, Paul F. Baumeister, and Stefan Blügel Institute for Advanced Simulation (IAS-1), Forschungszentrum Jülich First steps towards a scaling analysis of a fully resolved electrical neuron model Myra Huymayer G-CSC, Goethe Universität Frankfurt Atomistic simulations: The driving force behind modern thermodynamic research René Spencer Chatwell, Robin Fingerhut, Gabriela Guevara-Carrion, Matthias Heinen, Timon Hitz, Yonny Maurico Muñoz-Muñoz, Claus-Dieter Munz, and Jadran Vrabec Thermodynamik und Thermische Verfahrenstechnik, Technische Universität Berlin Ad-hoc file systems at extreme scales Mehmet Soysal and Achim Streit Steinbuch Centre for Computing (SCC), Karlsruhe Institute of Technology (KIT) First-Principles Calculations of Phase Stability, Electronic Structure, and Defect Properties of Perovskites for SOFC/SOEC Electrodes Daniel Mutter, Daniel F. Urban, and Christian Elsässer Materials Modeling, Fraunhofer IWM Progress Report on: Sulfur in ethylene epoxidation on silver (SEES2) Travis Jones Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin Crystallization, Fermionization, and Cavity-Induced Phase Transitions of Bose-Einstein condensates A. U. J. Lode, O. E. Alon, L. S. Cederbaum, B. Chakrabarti, B. Chatterjee, R. Chitra, A. Gammal, S. K. Haldar, M. L. Lekala, C. Leveque, R. Lin, P. Molignini, L. Papariello, and M. C. Tsatsos Vienna Center for Quantum Science and Technology, Atominstitut & Wolfgang Pauli Institute, c/o Faculty of Mathematics, TU Wien & University of Vienna Hadronic contributions to the anomalous magnetic moment of the muon from Lattice QCD M. Cè, A. Gérardin, G. von Hippel, B. Hörz, H.B. Meyer, D. Mohler, K. Ottnad, S. Schaefer, J. Wilhelm, and H. Wittig Helmholtz-Institut Mainz Hadronic corrections to the muon magnetic moment Kalman Szabo et al Jülich Supercomputing Centre, Forschungszentrum Jülich Applying High-Performance Computing for the Simulation of Residual Stresses from Welding and HFMI Stefanos Gkatzogiannis, Peter Knoedel, and Thomas Ummenhofer KIT Steel & Lightweight Structures, Research Center for Steel, Timber & Masonry, Karlsruhe Institute of Technology |
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| 18:00 | “Get together” with Workshop Dinner and Poster Presentations |
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Tuesday, October, 8th, 2019 |
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Session 4: Molecules, Interfaces, and Solids Chairman: Prof. Dr. Christoph van Wüllen, Universität Kaiserslautern |
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| 9:15 |
Characteristics of Surface Diffusion and Effective Pore Diffusion in Reversed-Phase Liquid Chromatography from Molecular Dynamics Simulations Julia Rybka, Alexandra Höltzel, Nicole Trebel, and Ulrich Tallarek FB15 Chemistry, Philipps-Universität Marburg |
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| 9:35 |
Atomistic Dynamics of Alternating Access Mechanism of an ABC Transporter Hendrik Göddeke and Lars Schäfer Institute of Theoretical Chemistry, Ruhr University Bochum |
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| 9:55 |
Molecular Dynamics Simulations? A time and length scale investigation Martin Hummel, Wolfgang Verestek, and Siegfried Schmauder Institut für Materialprüfung, Werkstoffkunde und Festigkeitslehre, Universität Stuttgart |
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| 10:15 |
Functionalized electrodes for sensing DNA: dynamics and solvent effects Frank C. Maier, Maofeng Dou, and Maria Fyta Institut für Computerphysik, Universität Stuttgart |
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| 10:35 | Break |
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Session 5: Physics Chairman: Prof. Dr. Peter Nielaba, Universität Konstanz |
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| 10:55 |
The TNG50 Simulation: highly-resolved galaxies in a large cosmological volume to the present day A. Pillepich, D. Nelson, V. Springel, R. Pakmor, L. Hernquist, M. Vogelsberger, R. Weinberger, S. Genel, F. Marinacci, P. Torrey, and J. Naiman MPIA Heidelberg, Galaxy and Cosmology Department, Max Planck Society |
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| 11:15 |
Long-term simulations of magnetized disks and jets around supermassive black-hole binaries in General Relativity Roman Gold, Luciano Rezzolla, Elias Most, Luke Bovard, Sven Koeppel, Hector Olivarez, Ludwig Jens Papenforth, and Christian Fromm Institute for Theoretical Physics (ITP), Goethe University Frankfurt |
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| 11:35 |
Thermodynamics and kinetics of the interactions between proteins and hydrophilic polymers Timo Schäfer, Christian Muhl, Matthias Barz, Friederike Schmid and Giovanni Settanni Institut für Physik, Johannes Gutenberg Universität Mainz |
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| 11:55 |
PAMOP2: State-of-the-art computations for atomic, molecular and optical processes B.M. McLaughlin, C.P. Ballance, R.T. Smyth, M.S. Pindzola, P.C. Stancil, J.F. Babb and A. Müller Centre for Theoretical Atomic, Molecular and Optical Physics, Queens University Belfast, UK |
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| 12:15 | Lunch |
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| 13:30 |
Awarding of Golden Spikes of HLRS |
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| 14:00 | Tutorial Next generation supercomputer @ HLRS: HPE Apollo 9000 “Hawk” Björn Dick, HLRS |
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| 15:00 | Guided Tour HLRS Supercomputer Facilities & Virtual Reality |
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| 16:15 | End |
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Organization
Travel Information and Accommodation
see our How to find us page.
Contact
Heinz Pöhlmann phone 0711 685 65992, poehlmann
hlrs.de
Rolf Rabenseifner phone 0711 685 65530, rabenseifnerhlrs.de
Lucienne Dettki phone 0711 685 63894, dettkihlrs.de