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Articles in NIC Symposium 2016, NIC Series 48

NIC Series Vol 48 - Cover

Scientific Big Data Analytics by HPC
T. Lippert, D. Mallmann, M. Riedel

The NIC Research Groups

Relativistic Quantum Molecular Dynamics Simulations of Multi-Strange Particle Production
M. Bleicher, J. Steinheimer, H. Petersen

Contact Mechanics and Fluid Leakage Near Percolation
W. B. Dapp, M. H. Müser

The QCD Phase Transition with Two Quark Flavours
C. Czaban, F. Cuteri, O. Philipsen, C. Pinke, A. Sciarra

Dynamical Simulations of Lattice QCD
K. Jansen, S. Schaefer, H. Simma, R. Sommer


Formation of Star-Forming Clouds from the Magnetised, Diffuse Interstellar Medium
R. Banerjee, B. Körtgen

The Formation of Planetesimals: Building Bricks for Planetary Systems
H. Klahr, A. Schreiber

LOFAR: Calibration and Imaging on JURECA
M. Hoeft, A. Horneffer, A. Drabent, S. Fröhlich

Turbulence and Its Effect on Protostellar Disk Formation
D. Seifried, R. Banerjee, R. S. Klessen

Computational Biology and Biophysics

Structural Predictions of Intrinsically Disordered Proteins with Computational Methods
E. Abad, G. Rossetti

Towards Restoring Catalytic Activity of Glutamine Synthetase With a Clinically Relevant Mutation
B. Frieg, D. Häussinger, H. Gohlke

Using Molecular Dynamics to Model the Stacking Behaviour of Perylene Bisimide Derivatives in Aromatic Solvent
M. Hollfelder, S. Gekle

Computational Chemistry

Ab Initio Molecular Dynamics Simulations of Ionic Liquids
M. Thomas, I. Sancho Sanz, O. Holloczki, B. Kirchner

Prebiotic Chemistry in Nanoconfinement
D. Munoz-Santiburcio, D. Marx 125

Simulation of Electron Transfer and Electron Transport in Molecular Systems at Surfaces
P. B. Coto, C. Hofmeister, V. Prucker, D. Weckbecker, M. Thoss

Elementary Particle Physics

The Mass Difference Between Protons and Neutrons and the Fine Tuning of Physical Constants
Sz. Borsanyi, S. Dürr, Z. Fodor, C. H¨olbling, S. D. Katz, S. Krieg, L. Lellouch, T. Lippert, A. Portelli, K. K. Szabo, B. C. Toth

The Pseudocritical Line in the QCD Phase Diagram
H.-T. Ding, P. Hegde, O. Kaczmarek, F. Karsch, E. Laermann, S. Mukherjee, P. Petreczky, H. Sandmeyer, C. Schmidt, P. Steinbrecher, W. S¨oldner

Pushing the Boundaries of Nuclear Physics with Lattice Simulations
U.-G. Meißner, T. A. Lähde, T. Luu

Hadron Structure from Lattice QCD
A. Schäfer

The Strong Interaction at Neutron-Rich Extremes
A. Gezerlis, K. Hebeler, J. D. Holt, J. Menendez, A. Schwenk, J. Simonis, I. Tews

Materials Science

Nanostructured Metallic Glasses: Tailoring the Mechanical Properties of Amorphous Metals
T. Brink, O. Adjaoud, K. Albe

Understanding Tribology and Machining Processes through Computationally Intensive Large Scale MD
P. A. Romero, M. Moseler

Memory Effect in Crystallisation of Amorphous Ge2Sb2Te5
R. O. Jones, J. Kalikka, J. Akola

Anisotropic Magneto-Thermopower in M/Co/M (M = Cu; Pd; Pt) Trilayer Systems
V. Popescu, P. Kratzer

Condensed Matter

Structures and Phases in (Nano-)Systems in Confined Geometry
M. Beck, A. Haller, D. Kawetzki, M. Matt, M. P¨utz, M. Ring, R. Schmid, K. Scholz, U. Siems, P. Nielaba

Quantum Monte Carlo Simulations of Strongly Correlated Electron Systems: The Dimensional Crossover
M. Raczkowski, M. Bercx, M. Weber, S. Beyl, J. Hofmann, F. Parisen Toldin, M. Hohenadler, F. F. Assaad

Optical Spectra of Carbon-Based Nanostructures
M. Rohlfing

Computational Soft Matter Science

Hierarchical Modelling of High-Molecular Weight Polymer Melts: From Soft Blobs to Microscopic Description
G. Zhang, T. Stuehn, K. Ch. Daoulas, K. Kremer

Process-Directed Self-Assembly of Copolymer Materials
M. Müller

Calculation of the Work of Adhesion of Solid-Liquid Interfaces by Molecular Dynamics Simulations
F. Leroy, F. Müller-Plathe

Earth and Environment

Very High Resolution Simulations of African Climate with the Regional Climate Model REMO
A. Hänsler, N. Koldunov, D. Sein, W. Sauf, D. Jacob

Forward and Inverse Modelling of Lithospheric Deformation on Geological Timescales
B. J. P. Kaus, A. A. Popov, T. S. Baumann, A. E. P¨us¨ok, A. Bauville, N. Fernandez, M. Collignon

Computational Aspects of High-Resolution Global Gravity Field Determination – Numbering Schemes and Reordering
J. M. Brockmann, W.-D. Schuh

Towards a Better Understanding of Rotating Turbulent Convection in Geo- and Astrophysical Systems
S. Stellmach, J. Verhoeven, M. Lischper, U. Hansen

Computer Science and Numerical Mathematics

Massively Parallel Large Scale Stokes Flow Simulation
B. Gmeiner, M. Huber, L. John, U. Rüde, C. Waluga, B. Wohlmuth

Analysing the Scalability of Climate Codes Using New Features of Scalasca
M. Harlacher, A. Calotoiu, J. Dennis, F. Wolf

Fluid Mechanics

Numerical Analysis of the FDA Centrifugal Blood Pump
V. Marinova, I. Kerroumi, A. Lintermann, J. H. Göbbert, C. Moulinec, S. Rible, Y. Fournier, M. Behbahani

Direct Numerical Simulations of Impeller Driven Turbulence and Dynamo Action
S. Kreuzahler, R. Grauer, H. Homann, Y. Ponty

Highly-Resolved Numerical Simulation of the Turbulent Combustion Process in Experimental Burners
F. Proch, M. Rieth, A. Rittler, A. Kempf

Supercomputing Studies in Turbulent Rayleigh-Benard Convection: Challenges and Perspectives
M. S. Emran, P. Götzfried, A. Kolchinskaya, J. D. Scheel, J. Schumacher

On the Parametrisation of Lattice Boltzmann Method in Pore-Scale Flow Simulations
S. Khirevich, U. Tallarek

Computational Plasma Physics

Towards Plasma-Driven Free-Electron Lasers
I. Dornmair, L. T. Campbell, J. T. Henderson, S. Jalas, O. Karger, M. Kirchen, A. Knetsch, G. G. Manhan, G. Wittig, B. Hidding, B. W. J. McNeil, A. R. Maier

Collisionless Shocks and Mediating Instabilities
A. Stockem Novo, P. Alves, K. Schoeffler, L. O. Silva, R. Schlickeiser