Institute for Advanced Simulation (IAS)
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Institute for Advanced Simulation (IAS)
Date  Speaker and Title 

Jan, 8  Jose A. Fonseca, Division CS (SL Terrestrial Systems) Towards scalable parallel adaptive simulations with ParFlow 
Jan, 22  Junxian Chew, Division CS (SL Plasma Physics) Plasma breakdown modelling in ITERscale tokamaks with a parallel tree code 
Feb, 5  Rocco Sedona, Division FSD Machine learning methods for classification of Polar Stratospheric Clouds 
Feb, 19  Giorgio Silvi, Division CS (SL Nuclear and Particle Physics) Towards the Pwave nucleonpion scattering amplitude in the Delta(1232) channel 
Mar, 19  Bing Gong, Division FSD Deep Learning for ozone prediction in Germany 
Apr, 2  Manpreet Jattana, Division CS (RG Quantum Information Processing) Simulating Extended EinsteinPodolskyRosenBohm (EPRB) Experiment 
Apr, 16  Sandipan Mohanty, Division CS (SL Biology) Explicit vector programming using SIMD libraries 
May, 14  Paul Baumeister, Division CS (SL Quantum Materials) How Cubes and Spheres can play together in Computational Science 
May, 28  Horacio Guzman, Division CS (SL Molecular Systems) Mapping multiple time and length scales in heterogeneous molecular simulations with domain decomposition schemes 
Jun, 11  Najmeh Kaffashzade, Division FSD A New Tool for Automated Quality Control of Environmental Time Series in Open Web Service 
Jun, 25  Mario Rüttgers, Division CS (SL Fluids and Solids Engineering) Machine Learning for Flow Physics Applications 
Jul, 9  Daniel Coquelin, Division CS (SL Terrestrial Systems) The HeAT Framework 
summer break  
Sep, 3  Eric Gregory, Division CS (SL Nuclear and Particle Physics) Lattice QCD and the modular supercomputer 
Sep, 10  Hannes Lagemann, Division CS (RG Quantum Information Processing) Trading memory for computational resources and a reduction in wave function elements, an alternative approach of simulating the penandpaper model of the gatebased quantum computer 
Oct, 1  Markus Abel, 4cast GmbH & Co. KG Machine Learning with symbolic regression: modeling, prediction and control of complex systems 
Oct, 15  Johannes Holke, Deutsches Luft und Rahmfahrtzentrum t8code  Extreme Scale Adaptive Mesh Refinement with Arbitrary Elements 
Oct, 29  Sajid Ali, University of Münster N=1 Supersymmetric YangMills Theory on the Lattice Philipp Otte, Division CS (SL Plasma Physics) A Python package for computing domains of stability of IMEX Runge Kutta methods 
Nov, 12  Ujjwal Sinha, Division CS (SL Plasma Physics) Modeling radiation spectra from particleincell simulations 
Nov, 14  Nesreen Hasan, Division CS (SL Nuclear and Particle Physics) A lattice QCD study of nucleon structure with physical quark masses 
Date  Speaker and Title 

Jan, 23  Slavko Brdar, SL Terrestrial Systems McSnow: A MonteCarlo ice microphysics model 
Feb, 6  Andre Giesler, Division FSD UniProv  Provenance Management for Scientific Workflows 
Feb, 20  Miriam Hinzen, SL Quantum Materials A Rigorous Formulation of the Kerker Preconditioner in a LAPW Basis Set 
Mar, 6  Lars Hoffmann, SL Climate Science A decadal satellite record of gravity wave activity in the lower stratosphere to study polar stratospheric cloud formation 
Mar, 20  Jedrzej Rybicki, Division FSD Application of Event Sourcing in Research Data Management 
Apr, 10  Andreas Lintermann, SL Fluids and Solids Engineering Efficient Parallel Geometry Distribution for the Simulation of Complex Flows 
Apr, 24  Zahra Chitgar, SL Plasma Physics Enhanced betatron radiation from selfinjected electron bunches driven by doublepulse laser wakefield acceleration 
May, 8  Martin Schultz, Division FSD From TOAR to TOAR2: how data science will help improving the global assessment of ozone air pollution 
May, 22  Eric Gregory, Bergische Universität Wuppertal (SL Nuclear and Particle Physics) Optimizing a staggered Lattice QCD kernel for KNL architecture 
Jun, 5  Godehard Sutmann, SL Molecular Systems Analysis of stochastic optimization and implications for materials science 
Jun, 19  Tim Kreuzer, Division FSD Interactive Supercomputing  Jupyter on HPC systems 
Jul, 3  Fengping Jin, RG "Quantum Information Processing" Quantum typicality approach  Application to transport in the onedimensional XXZ model 
summer break  
Sep, 4  Olav Zimmermann, SL Biology Studying peptide aggregation by analysis of large scale allatom MCMC simulations 
Oct, 2  Olaf Stein, SL Climate Science The MESSy way of integrating atmospheric chemistry into ICON 
Oct, 16  Paul Baumeister, SL Quantum Materials Simulating Materials  The Basics of Electronic Structure Calculations 
Oct, 30  Björn Hagemeier, Division FSD Data Management Services at JSC 
Nov, 13  SeongRyong Koh, SL Fluids and Solids Engineering Numerical analysis of the impact of porous media on trailingedge noise 
Dec, 11  Jedrzej Rybicki, Division FSD On data pipelines, workflows, and models  Based on a true story of a data scientist 
Date  Speaker and Title 

Jan, 10  Rene Halver, SL Molecular Systems Benchmarking Molecular Dynamics with OpenCL on Heterogenous Architectures 
Feb, 21  Sebastian Achilles, SL Quantum Materials Distributed parallel nonequilibrium Green's function approach to inelastic charge transport 
Mar, 7  Xue Wu, SL Climate Science Transport of highlatitude volcanic plume into the tropical tropopause layer  a special case of Sarychev eruption in summer 2009 and the key role of Asian summer monsoon 
Apr, 7  Humberto Hijar, Engineering School, La Salle University Mexico Hydrodynamic Correlations in Nematic Liquid Crystals Simulated with Multiparticle Collision Dynamics 
May, 23  Godehard Sutmann, SL Molecular Systems Parallel Monte Carlo for segregation in solids 
Jun, 13  Edoardo Di Napoli, SL Quantum Materials Modernizing a legacy code: An Exercise in Performance Portability 
Jun, 27  TingJui Hsu, Research Group Quantum Information Processing Simulation of a quantum annealer for solving the 2satisfiability problem at zero and finite temperature 
summer break  
Aug, 28  Claudia Stephan, Department of Meteorology, University of Reading From weather to climate and climate to weather: the challenge of separating multiscale processes 
Sep, 26  Michael SchlottkeLakemper, SL Fluids and Solids Engineering An efficient approach for computational aeroacoustics on HPC systems 
Oct, 10  Stephan Dürr, SL Nuclear and Particle Physics and University of Wuppertal Porting the Brillouin operator to the KNL architecture 
Nov, 21  Thomas Müller, SL Molecular Systems Local electron correlation techniques within the MRCI framework 
Dec, 5  Madita Nocon, Research Group Quantum Information Processing Our experience with the IBM Quantum Experience 
Date  Speaker and Title 

Jan, 12  Young J. Moon, Computational Fluid Dynamics and Acoustics Laboratory, Aerodynamic noise at low Mach numbers 
Jan, 26  Godehard Sutmann, SimLab Molecular Systems Operator based charge distribution and interpolation for particlemesh methods 
Feb, 9  Giulia Rossetti, Department of Oncology, Hematology and Stem Cell Transplantation, University Hospital Aachen, RWTH Aachen University; Institute for Advanced Simulation (IAS5); Institute of Neuroscience and Medicine (INM9); SimLab Biology Binding of the Antagonist Caffeine to the Human Adenosine Receptor hA 2A R in Nearly Physiological Conditions 
Feb, 23  Fengping Jin, Research Group "Quantum Information Processing" Approximate Validity of the Jarzynski Relation for NonGibbsian States in Isolated Systems 
Mar, 8  Sachin Nanavati, SimLab Ab Initio Methods Shared memory parallelization of a radial solver 
Mar, 22  Philipp Franke, Rheinisches Institut für Umweltforschung (RIU), Universität zu Köln; Institut für Energie und Klimaforschung (IEK8) A new particle smoother for emission parameter estimation 
Apr, 5  Michael SchlottkeLakemper, SimLab Highly Scalable Fluids & Solids Directhybrid computational aeroacoustics via the discontinuous Galerkin method 
Apr, 19  Lukas Poorthuis, SimLab Terrestrial Systems Parallel NetCDF with the hydrological model ParFlow  Testing, scaling and implementation 
May, 3  William McDoniel, Aachen Institute for Advanced Study in Computational Engineering Science (AICES), RWTH Aachen DSMC Simulation of Io's Plumes and Atmosphere 
May, 17  Stefan KriegVenninghaus, SimLab Nuclear & Particle Physics 
May, 31  Thomas Müller, SimLab Molecular Systems Discretization Techniques in Quantum Chemistry 
Jun, 14  Khaldoon Ghanem, computational science division Stochastic Sampling Method: Analytic Continuation of Quantum Monte Carlo Data 
Jun, 28  Jan Winkelmann, Aachen Institute for Advanced Study in Computational Engineering Science (AICES), RWTH Aachen and SimLab Ab Initio Methods 
Sep, 6  Madita Nocon and Dennis Willsch, Research Group "Quantum Information Processing" 
Sep, 20  Michael SchlottkeLakemper, SimLab Highly Scalable Fluids & Solids 
Oct, 4  Sabine Grießbach, SimLab Climate Science Preparing for the future: Characterisation of particulates in the upper troposphere / lower stratosphere  A report on ongoing project activity 
Oct, 18  Wendy Sharples, SimLab Terrestrial Systems 
Nov, 15  Nina Elkina, HelmholtzInstitut Jena Numerical simulation of intense field quantum electrodynamic effects in laser plasma 
Nov, 29  Nesreen Hasan, SimLab Nuclear & Particle Physics Computing the nucleon Dirac radius directly at Q^{2} = 0 
Date  Title  Speaker 

Dec 8  New application support activities with simulation lab involvement: Prep. Access and EoCoE  Paul Gibbon & Dirk Brömmel, SimLab Plasma Physics 
Nov 24  Current high resolution simulations with the WRF RCM and forecasting simulations with the fully coupled TerrSysMP  Sebastian Knist, SimLab Terrestrial Systems, and Fabian Gasper, IBG3 
Nov 10  Towards the simulation of incompressible viscoelastic flows of microstructured liquids  Metin Cakircali, SimLab Highly Scalable Fluids & Solids 
Oct 27  Inverse transport modeling of volcanic sulfur dioxide emissions using largescale ensemble simulations  Yi Heng, SimLab Climate Science / IEK8 
Oct 13  An introductory "vademecum" to HPC tensor algebra  Edoardo Di Napoli, Simlab Ab Initio Methods 
Sep 29  Simulating on the DWaveTwo and emulating its behavior on an ordinary computer  Lukas Hobl, Quantum Information Processing 
Sep 15  Allatom protein folding simulations in presence of protein crowders  Sandipan Mohanty, SimLab Biology 
Sep 1  MultiThreaded Construction of Neighbour Lists for Particle Systems in OpenMP  Rene Halver, SimLab Molecular Systems 
Jul 7  Lagrangian transport simulations of volcanic sulfur dioxide emissions: impact of meteorological data products  Lars Hoffmann, SimLab Climate Science 
Jun 23  Insitu visualisation of large data sets  Jens Henrik Göbbert, RWTH/JSC 
Jun 9  Cosmic Neutrino Background Radiation  Stephan Dürr, SimLab Nuclear & Particle Physics 
May 26  Ion acceleration by intense, fewcycle laser pulses with nanodroplets  Laura Di Lucchio, Simlab Plasma Physics 
May 12  Optimization of a Scramjet intake using a global direct method  Manuel Kosel, SimLab Highly Scalable Fluids & Solids 
Apr 28  Markov Models, Clustering, and Protein Folding  Jan Meinke, SimLab Biology 
Mar 31  Performance Analysis of the Climate Model ICON  Catrin Meyer, SimLab Climate Science 
A Concurrent Coupling Scheme for Reactive Nano and Mesoparticles  Viorel Chihaia, Simlab Molecular Systems  
Mar 17  Landatmosphere interactions in highresolution regional climate simulations with the WRF atmospheric model  Sebastian Knist, SimLab Terrestrial Systems 
Discrete event simulation of a neutron experiment violating Heisenberg's uncertainty relation  Kristel Michielsen, Quantum Information Processing  
Mar 3  Dimension reduction methods: Algorithms and Applications  Yousef Saad 
Feb 17  Firstprinciples calculations of optical and magnetic properties of IIVI semiconductor clusters  Sachin Nanavati, Simlab Ab Initio Methods 
Magnetically assisted fast ignition for laserdriven fusion energy gain  WeiMin Wang, Simlab Plasma Physics  
Feb 3  Beyond the Standard model matrix elements with the gradient flow: the case of the nucleon electric dipole moment  Andrea Shindler, Institute for Nuclear Physics, FZJ 
Jan 20  Kinetic simulations of the KelvinHelmholtz instability in plasmas  Benedikt Steinbusch, Simlab Plasma Physics 
Some discussions on inverse problems: formulation, efficient solution and applications  Yi Heng, SimLab Climate Science  
Jan 6  Simulation of the flow in the human airways  Andreas Lintermann, SimLab Highly Scalable Fluids & Solids 
GSB and JuSER: How they can work together  Annika Hagemeier 
Date  Title  Speaker 

Dec 9  Studies of Current Current Correlators in Lattice QCD  Thomas Neuhaus, Quantum Information Processing 
Global Modelling of Atmospheric Composition  Olaf Stein, SimLab Climate Science  
Nov 25  From nonrelativistic to relativistic Quantum Chemistry  Thomas Müller, Simlab Molecular Systems 
Nov 11  A hybrid discontinuous Galerkinfinite volume method for computational aeroacoustics  Michael Schlottke, SimLab Highly Scalable Fluids & Solids 
From quarks to hadrons and back  Stefan Krieg, SimLab Nuclear & Particle Physics  
Oct 28  Meshfree formulation of twodimensional Darwin model  Lorenzo Siddi, Simlab Plasma Physics 
Porting and Benchmarking of the Finite Element Tookit FEniCS  Thomas Breuer, Simlab Fluid & Solid Engineering  
Oct 14  Landatmosphere interactions in multiscale regional climate simulations with the WRF atmospheric model over the EuroCORDEX domain  Sebastian Knist, Simlab Terrestrial Systems 
Sept 16  Unemployment in computational science: a way out of the crisis  Godehard Sutmann, Simlab Molecular Systems 
Trajectory Calculations for Volcanic Eruptions: Model Development and Case  Thomas Rößler, Simlab Climate Science  
Sept 2 GRS, R. 2009  Simulation and Modeling for the Reconstruction of Nerve Fibers in the Brain by 3D Polarized Light Imaging  Miriam Menzel, Institut für Neurowissenschaften & Medizin (INM1) 
July 8  Delivering HighImpact Computational Science on Titan  Dr. Tjerk Straatsma, Oak Ridge Leadership Computing Facilitiy, National Center for Computational Sciences, Oak Ridge National Laboratory 
June 24  HD(CP)2: High Definition Clouds and Precipitation for Climate Prediction  Catrin Meyer, Simlab Climate Science 
May 27 R. 406 2nd floor  An Optimized and Scalable Iterative Eigensolver for Sequences of Dense Eigenvalue Problems  Edoardo Di Napoli, Simlab Ab Initio Methods 
Monte Carlo Protein Simulations at the SimLab Biology  Sandipan Mohanty, Simlab Biology  
May 13  Spacetime parallel simulations of the KelvinHelmholtz instability in magnetised plasmas  Benedikt Steinbusch, Simlab Plasma Physics 
Concurrent Coupling Methods. Applications to Reactive ShapedParticles  Viorel Chihaia, Simlab Molecular Systems  
Apr 29 R. 406 2nd floor  Imagebased systems biology of fungal infections  Prof. Dr. Marc Thilo Figge, Leibniz Institute for Natural Product Research and Infection Biology, Hans Knöll Institute, Jena 
Apr 15  CFD simulations with FEniCS, a general purpose flexible Finite Elements library  Paolo Crosetto, Simlab Fluid & Solid Engineering 
Exascaling a ParticleinCell code  Dirk Brömmel, Simlab Plasma Physics  
Apr 1 R. 406 2nd floor  Tracing volcanic aerosol from space  Sabine Grießbach, Simlab Climate Science 
Quarks, computers, and all that  Stefan Krieg, Simlab Nuclear & Particle Physics  
Mar 18  Towards fully coupled regional modelling in geosciences with TerrSysMP  Klaus Görgen, Simlab Terrestrial Systems 
Towards a parallel derivativefree trustregion method for nonlinear optimization problems  Mike Nicolai, Simlab Fluid & Solid Engineering  
Mar 4  On protein structure and disorder  Olav Zimmermann, Simlab Biology 
Topological susceptibility for SU(N) gauge theories on the lattice  Nesreen Hasan, Simlab Nuclear & Particle Physics  
Feb18  Theoretic and numerical studies on terahertz radiation sources  WeiMin Wang, Simlab Plasma Physics 
Feb 4  Simulation of stratospheric trace gases using a Lagrangian transport scheme  Charlotte Hoppe, Simlab Climate Science 
Investigating particle simulation performance with MP2C  Rene Halver, Simlab Molecular Systems  
Jan 21  Quantum Decoherence Scaling with Bath Size at Infinite Temperature  Fengping Jin, Quantum Information Processing 
The early evolution of short period binaries  Christina Korntreff, Simlab Plasma Physics  
Jan 7  Largescale models on brain plasticity  Markus ButzOstendorf, Simlab Neuroscience 
Date  Title  Speaker 

Dec 10  Quantum Signatures for Annealing Boards with Ising Spins  Thomas Neuhaus Quantum Information Processing 
Quantum Chemistry: What are the Challenges?  Thomas Müller, Simlab Molecular Systems  
Nov 26  Laserproduced attosecond electron bunches  Laura Di Lucchio, Simlab Plasma Physics 
Efficient Multigrid methods for highorder Poisson solvers and different boundary conditions  Maya Kletzin, Simlab Molecular Systems  
Nov 12  Lattice QCD  strong interactions from first principles  Stephan Dürr, Simlab Nuclear & Particle Physics 
Analyzing highdimensional Data with GPUMAFIA  Jan Meinke, Simlab Biology  
Oct 29  CFDbased simulations of blood flow and blood cell behavior for biomedical applications  Mehdi Behbahani, FH Aachen, Campus Jülich 
Oct 15  Observations and Modelling of Stratospheric Gravity Waves  Lars Hoffman, Simlab Climate Science 
Status and plans of the SimLab Plasma Physics  Paul Gibbon, Simlab Plasma Physics  
Jun 11  Kinetic and gyrokinetic simulations of shear flow instabilities in magnetized plasmas  Richard D. Sydora 
Mar 26  Thermal anisotropydriven Weibel instability in expanding plasma: Experimental observations and PIC simulation results  Mark E. Dieckman 
Mar 19  TBA  Alexandru Calotoiu 
TBA  Unraveling and eliminating dissipation mechanisms,in contacts between polymerbearing surfaces  Sissi De Beer 
TBA  TBA  Mykola Prodanov 
Date  Title  Speaker 

Dec 11  RedoxSQE  Redox reactions with empirical potentials  Wolf Dapp 
Nov 20  What have your movie preferences to do with pinned rough surfaces?  Peter Grassberger 
Nov 6  DEEP: Project & Cluster  
Oct 16  Theoretical and numerical studies of laserplasma ion acceleration and mitigation of RayleighTaylor instability in inertial confinement fusion  Laura Di Lucchio 
Oct 2  FluidStructure Interaction Problems in Hemodynamics: Parallel Solvers, Preconditioners, and Applications  Paolo Crosetto 
Aug 14  UNICORE for Dummies  Valentina Huber (FSD) 
Jul 10  A Finite Element Method for Spatially Resolved Simulation of Packed Bed Chromatography  Andreas Püttmann (IBG1) 
Jul 3  Aerodynamische Hilfsmittel in der Formel 1  Mike Nicolai 
Jun 26  Computational biomedicine: neurodegenerative disease  Giulia Rossetti 
Jun 12  A 6year record of volcanic ash detection  Sabine Grießbach 
May 15  High Performance Computing and Simulation in Terrestrial Systems (SimLab TerrSys)  Prof. HarrieJan Hendricks Franssen (IBG3) 
May 8  3D modelling of root water uptake  Natalie Schröder 
Apr 24  Visualisation tools: intro and tour of demos  Herwig Zilken 
Apr 17  CLAMS/Messy  Charlotte Hoppe 
Mar 27  HPC goes Win95  Dirk Brömmel 
Mar 20  Dynamics of binary stars in gas  Christina Hövel 
Mar 6  Strongly coupled clusters  Mathias Winkel 
Feb 21  ParticleBased Multiscale Coupling of Fluids  Uliana Alekseeva 
Feb 14  Implementation and Validation of the KES Turbulence Model with the Discontinuous Galerkin Spectral Element Method  Michael Schlottke 
Jan 31  The DWAVE quantum computer  Thomas Neuhaus 
Date  Title  Speaker 

Oct 25  Clouds and aerosol in infrared radiative transfer calculations for the analysis of satellite observations  Sabine Grießbach 
Sep 6  Highlyparallel Smoothed Particle Hydrodynamics modelling of protoplanetary discs  Andreas Breslau 
Jul 26  The Darwin model: beyond Coulomb but not quite Maxwell  Paul Gibbon 
Jul 19  Rotation  Implications in Particle Simulations  Viorel Chihaia 
Jul 12  Twostage process in the formation of the field binary population  Christina Hövel 
Jun 14  Shape optimization for fluids using stabilized Finite Elements and TSplines in a tandem  Mike Nicolai 
May 24  Dynamics of NanoScale Magnets  Fengping Jin 
May 9 + 10  Performance Analysis & Tools Course  Bernd Mohr 
Apr 12  Statistical Properties of Solutions in Random Three Satisfiability  Thomas Neuhaus 
Mar 22  Inverse Methods for Atmospheric Sounding  Lars Hoffmann 
Feb 22  Pushing The Limits: FMM Parallelization and Compression Strategies  Ivo Kabadshow 
Feb 15  Introduction to the HelpDesk System  Wolfgang Frings 
Date  Title  Speaker 

Dec 21  ParaView Tutorial  Herwig Zilken, Marlene Busch 
Nov 30  MP2C on GPUs  Lidia Westphal 
Nov 9  Web Relaunch  Sabine HöflerThierfeldt 
Nov 3  Protein Folding (Chernogolovka Seminar)  Sandipan Mohanty 
Oct 26  3Satisfiability and Quantum Adiabatic Computation  Markus Peschina 
Oct 12  Publications Database: New Features and Feedback  Maya Kletzin 
Jul 6  Conference Reports: CCP Trondheim, SciPy, Gauss (Leipzig)  René Halver, Jan Meinke, Godehard Sutmann 
Jun 29  Publications Database  Maya Kletzin 
Jun 22  Scientific Python  Jan Meinke 
Jun 8  Workshop planning meeting  SimLabs 
May 4  PGI Accelerator  Jan Meinke 
Apr 20  Multiparticle Simulations  Sandipan Mohanty 
Mar 23  Lattice QCD: What, Why and How?  Stephan Dürr 
Mar 9  Conference Report: Conference on Parallel Processing for Scientific Computing (SIAM'10), Seattle  Robert Speck 
Feb 9  SRD on CELL/BE using CellSs  An HPCEuropa2 Project at BSC  Annika Schiller 
Feb 2  An Automatic Validation System Configured for Fusion Simulation Codes  Andreas Galonska 
Jan 26  Unsolved Problems in Quantum Adiabatic Computation  Thomas Neuhaus 