NIC Symposium 2018

22-23 February 2018

Forschungszentrum Jülich
John von Neumann Institute for Computing

The 9th NIC Symposium gives an overview of the activities of the John von Neumann Institute for Computing (NIC) and of the results obtained in the last two years by research groups supported by the NIC.

NIC - a joint foundation of Forschungszentrum Jülich, Deutsches Elektronen-Synchrotron (DESY) and Gesellschaft für Schwerionenforschung (GSI) - supports with its members' supercomputer facilities about 130 research groups at universities and national labs working on computer simulations in various fields of science.

Fifteen invited lectures cover selected topics in the following fields:

• Astrophysics
• Biophysics
• Chemistry
• Elementary Particle Physics
• Condensed Matter
• Materials Science
• Soft Matter Science
• Earth and Environmental Research
• Fluid Mechanics
• Plasma Physics
• Computer Science

Proceedings

Proceedings of this symposium and descriptions of further NIC projects were issued as a volume of the "NIC Series".

NIC Symposium 2018
Symposium, 22-23 February 2018, Jülich, Germany
edited by Kurt Binder, Marcus Müller, Alexander Trautmann
NIC Series Vol. 49, February 2018, vi, 448 pages
ISBN 978-3-95806-285-6, http://hdl.handle.net/2128/17544
NIC Symposium 2018 - Proceedings (PDF)

Posters

Elementary Particle Physics

• E 1: Dynamical Charm Effects on the QCD Static Potential
  S. Cali, F. Knechtli, T. Korzec, H. Panagopoulos
• E 2: Calculating the Proton Radius Using Lattice QCD
  J. Green, N. Hasan, S. Meinel, M. Engelhardt, S. Krieg, J. Negele, A. Pochinsky, S. Syritsyn
• E 3: Axion Mass from Lattice QCD
  S. Borsanyi, Z. Fodor, J. Guenther, S. Katz, T. Kawanai, T. Kovacs, S. Mages, A. Pasztor, J. Redondo, A. Ringwald, K. Szabo
• E 4: Investigation of Theories beyond the Standard Model
  S. Ali, G. Bergner, H. Gerber, P. Giudice, S. Kuberski, I. Montvay, G. Münster, S. Piemonte, P. Scior
• E 6: The Leading Order Hadronic Contribution to the Anomalous Magnetic Moment of the Muon
  B. Toth
• E 7: Nucleon Sigma Terms, Corrections to Dashen's Theorem and the Light Quark Mass Ratio from Lattice QCD
  L. Varnhorst
• E 8: More on the Fate of the Conformal Fixed Point with Twelve Massless Fermions
  Z. Fodor, K. Holland, J. Kuti, D. Nogradi, C. H. Wong

Atomic/Nuclear Physics

• AK 2: Relativistic Magneto-Hydrodynamics for Heavy Ion Collisions
  G. Inghirami, M. Bleicher

Materials Science

• MAT 1: Microstructure Formation of Metallic Nanoglasses and Their Mechanical Properties
  O. Adjaoud, C. Kalcher, K. Albe
• MAT 6: Atomistic Simulations of Nuclear Waste Materials
  Y. Ji, H. Si, P. M. Kowalski
• MAT 8: The Electrostatic Origin of Polar Hydrophobicity: Why Perfluorinated Carbons Can be Polar and Hydrophobic
  L. Mayrhofer, G. Moras, N. Mulakaluri, S. Rajogapalan, P. A. Stevens, M. Moseler

Condensed Matter

• KM 1: Hybrid Organic Magnetic Metal Interfaces
  N. Atodiresei, V. Caciuc, S. Blügel
• KM 3: Hybrid Molecular-Based Interfaces from First Principles
  V. Caciuc, N. Atodiresei, S. Blügel
• KM 4: Towards Understanding Photomigration: Insights from Atomistic Simulations of Azopolymer Films Explicitly Including Light-Induced Isomerization Dynamics
  M. Böckmann, N. L. Doltsinis
• KM 7: Real-Time Broadening of Nonequilibrium Density Profiles and the Role of the Specific Initial-State Realization
  R. Steinigeweg, F. Jin, D. Schmidtke, H. De Raedt, K. Michielsen, J. Gemmer
• KM 8: Universality of Defect-Skyrmion Interaction Profiles
  I. Lima Fernandes, J. Bouaziz, S. Blügel, S. Lounis
• KM 9: Coupled Quadrupole-Phonon Excitations in CeAuAl₃ and Spin Wave Excitations in MnWO₄
  B.-Q. Liu, P. Čermák, A. Schneidewind, S. Park
• KM 12: TITAN: A Code and its Applications for Time-dependent Transport and Angular Momentum in Nanostructures
  J. R. Suckert, F. Souza Mendes Guimarães, J. Chico, M. dos Santos Dias, J. Bouaziz, S. Lounis

Computational Soft Matter Science

• POLY 2: Tissue competition: The Role of Cross Adhesion
  T. Büscher, N. Ganai, G. Gompper, J. Elgeti
• POLY 3: Excess Entropy Scaling Applied to Coarse-Grained Polymer Models
  G. Garcia Rondina, F. Müller-Plathe
• POLY 4: Blood Flow Regulates Platelet-Polymer Aggregation
  M. Hoore, D. A. Fedosov, G. Gompper
• POLY 5: High-Throughput Screening of Drug-Membrane Thermodynamics
  R. Menichetti, K. H. Kanekal, K. Kremer, T. Bereau

• POLY 6: Mesoscopic Simulations of Electrokinetic Phenomena
  N. Rivas, I. Pagonabarraga, W. D. K. Jung, J. Harting

Computational Plasma Physics

• PLA 1: Toward Enhancement of Betatron Radiation Flux
  A. Sobotta, Z. Chitgar, M. Büscher, P. Gibbon, A. Lehrach
• PLA 3: Radiation-Dominated Plasma Dynamics in the Interaction of Super-Intense Circularly Polarized Pulses with Thick Plasma Targets
  T. Liseykina, D. Bauer, A. Macchi, S. Popruzhenko

• PLA 4: Electron-Injection Techniques in Plasma-Wakefield Accelerators for Driving Free-Electron Lasers
  E. Svystun, A. M. de la Ossa, J. Osterhoff, L. D. Amorim, A. Aschikhin, R. Aßmann, Á. F. Pousa, R. Fonseca, A. Helm, A. Knetsch, 
L. di Lucchio, J. L. Martins, T. Mehrling, P. Niknejadi, B. Sheeran, L. O. Silva, J. Vieira, M. Vranic, V. Wacker, M. Weikum

Computational Biology Biophysics

• BIO 4: 3D Reconstruction of Nerve Fibers in the Human, the Monkey and the Rodent Brain
  O. Bücker, A. Müller, A. Lührs, S. Münzing, S. Köhnen, P. Schlömer, M. Schober, N. Schubert, D. Schmitz, M. Axer
• BIO 5: Full Dynamic Brain Simulation Using GATE in a High-Performance Computer
  L. Caldeira, S. Lalitha, M. Lenz, R. Deepu, W. Klijn, C. Lerche, N.J. Shah, U. Pietrzyk
• BIO 8: Dimerization Interfaces of the GPCR TGR5
  C. G. W. Gertzen, L. Spomer, A. Greife, C. Seidel, V. Keitel, H. Gohlke
• BIO 15: Changes in Brain Structure in Parkinson's Disease
  P. Pieperhoff, M. Südmeyer, L. Dinkelbach, C. Hartmann, S. Ferrea, A. S. Moldovan, S. Diaz, A. Schnitzler, K. Zilles, K. Amunts
• BIO 18: Collective Cell Behavior - a Cell-Based Parallelization Approach for a Phase Field Active Polar Gel Model
  S. Praetorius, D. Wenzel, A. Voigt

Miscellaeneous Engeneering

• SE 2: From Elastic Wave Simulation to Ultrasonic Wavefield Imaging and Inversion
  L. T. Nguyen, E. H. Saenger

Fluid Mechanics

• ST 1: Investigation of Cavitation Erosion with a Density-Based CFD-Method on a Hydrofoil with Circular Leading Edge
  M. Blume, R. Skoda
• ST 2: Multi-Physics, Multi-Scale Simulations Using CIAO
  M. Bode, D. Denker, J. H. Göbbert, D. Goeb, J. Boschung, F. Hennig, A. Attili, H. Pitsch
• ST 6: Generation of a Database with Detailed Numerical Simulation of Mixed-Mode Combustion
  T. Zirwes, F. Zhang, J. A. Denev, P. Habisreuther, H. Bockhorn, D. Trimis
• ST 7: Liquid Water Transport in Stochastic Material of Gas Diffusion Layers of Polymer Electrolyte Fuel Cells
  D. Froning, J. Yu, U. Reimer, W. Lehnert
• ST 12: Model Development for Meteorological Applications
  M. Baumann, S. Gawlok, P. Gerstner, V. Heuveline, N. Schween, C. Song, P. Zaspel
• ST 13: Simulation of Oil Jets for Piston Cooling Applications Using Mesh Deformation and the Level Set Method
  L. Wendling, V. Karyofyli, M. Frings, A. Hopf, S. Elgeti, M. Behr

Earth and Environment

• MET 1: Scale-Dependence of Atmosphere-Surface Coupling Through Similarity Theory
  C. Ansorge
• MET 4: Observability and Predictability of Volcanic Ash Transports
  A. C. Lange, P. Franke, L. Fröhlich, H. Elbern
• MET 5: Fully Coupled TerSysMP EUR-11 Evaluation Runs
  C. Furusho-Percot, K. Görgen, J. Keune, K. Kulkarni, S. Kollet
• MET 6: Convection Permitting WRF Climate Simulations: Precipitation Statistics and Impact of Land Surface Properties
  S. Knist, K. Goergen, C. Simmer
• MET 8: Soil Moisture Assimilation into TerrSysMP at Different Scales
  H.-J. Hendricks Franssen, W. Kurtz, B. Naz, S. Gebler, K. Görgen, S. Kollet
• MET 9: High-Performance Computing in Basin Modeling: Simulating Mechanical Compaction Through Vertical Effective Stress Using Level Sets
  S. McGovern, S. J. Kollet, C. M. Buerger, R. L. Schwede, O. G. Podlaha
• MET 10: The Challenge of Small-Scale Turbulence in Planetary Boundary Layers
  J. P. Mellado, K. Fodor, A. Haghshenas, M. Karimi, B. Schulz
• MET 11: Towards Improved High-Resolution Hydrologic Simulations over Europe Using HPC Based TerrSysMP-PDAF
  B. S. Naz, W. Kurtz, S. Kollet, H.-J. Hendricks Franssen, C. Montzka, W. Sharples, K. Goergen, J. Keune, A. Springer
• MET 12: Feedbacks in the General Circulation Model ICON-A for Explicit and Parametrised Convection across Resolution
  M. H. Retsch, T. Mauritsen
• MET 13: Ensemble Experiments with a Coupled Atmosphere-Land-Surface-Subsurface Model
  B. Schalge, H.-J. Hendricks-Franssen, S. Kollet, C. Simmer
• MET 14: Terrestrial Systems Numerical Simulations in the Framework of Jülich Research on Exascale Cluster Architectures (JURECA)
  P. Shrestha, M. Sulis, S. Poll, C. Simmer, S. J. Kollet
• MET 15: Isoprene Secondary Organic Aerosol
  S. Stadtler, T. Kühn, S. Schröder, D. Taraborrelli, H. Kokkola, M. Schultz

• MET 17: Performance Analysis and Simulations for the Project "High Definition Clouds and Precipitation for advancing Climate Prediction (HD(CP)²)"
  C. I. Meyer, O. Stein, C. Nam, S. Kneifel, S. Crewell, O. Sourdeval, J. Kretzschmar, J. Quass, L. Hoffmann

Computer Science and Numerical Mathematics

• INF 1: Performance Evolution of the FLEUR Code
  U. Alekseeva, G. Michalicek, D. Wortmann
• INF 2: Examples of Massively Parallel Non-Numerical Algorithms
  M. Axtmann, S. Lamm, P. Sanders
• INF 4: FE2TI: Computational Scale Bridging for Dual-Phase Steels
  A. Klawonn, S. Köhler, M. Lanser, O. Rheinbach, M. Uran
• INF 5: Towards Automatic Generation of Energy-Aware Efficient Geometric Multigrid Solvers
  L. Claus, A. Grebhahn, S. Kronawitter, S. Kuckuk, H. Rittich, C. Schmitt
• INF 6: Superconducting Flux Qubits Compared to Ideal Two-Level Systems as Building Blocks for Quantum Annealers
  M. Nocon, D. Willsch, F. Jin, H. De Raedt, K. Michielsen
• INF 7: A Multigrid Accelerated Eigensolver for the Hermitian Dirac Operator
  A. Frommer, K. Kahl, M. Rottmann, A. Strebel
• INF 8: Error Analysis of Gate-Based Quantum Computers with Transmon Qubits
  D. Willsch, M. Nocon, F. Jin, H. De Raedt, K. Michielsen

Scientific Big Data Analysis

• SBDA 1: Supporting Cytoarchitectonic Mapping on Histological Brain Sections using Transfer-Learning with Convolutional Neural Networks
  C. Schiffer, H. Spitzer, K. Kiwitz, K. Amunts, T. Dickscheid

Programme

Thursday, 22 February 2018

Friday, 23 February 2018

Organising Committee

• Kurt Binder
• Marcus Müller
• Alexander Trautmann
• Martina Kamps