Preface
G. Münster, D. Wolf, M. Kremer
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Recent Developments in Supercomputing
Th. Lippert |
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The NIC Research Groups |
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Protein Simulations on Massively Parallel Computers
J. H. Meinke, S. Mohanty, W. Nadler, Th. Neuhaus, O. Zimmermann, U. H. E. Hansmann
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Phase Transitions and the Mass of the Visible Universe
Z. Fodor
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Astrophysics |
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Introduction
P. L. Biermann
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Simulating Galaxies in Clusters
M. Brüggen, E. Roediger
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Unravelling the Explosion Mechanism of Core-Collapse Supernovae
H.-T. Janka, A. Marek, B. Müller
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Formation and Evolution of Black Holes
in Galactic Nuclei and Star Clusters
R. Spurzem, P. Berczik, I. Berentzen, D. Merritt, M. Preto,
P.-A. Seoane, A. Borch, J.M.B. Downing, Ch. Eichhorn, A. Ernst,
J. Fiestas, A. Just, C. Omarov, O. Porth
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Biophysics |
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Introduction
H. A. Scheraga
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Hydrodynamics of Active Mesoscopic Systems
J. Elgeti, G. Gompper
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Optimization of a Physics-Based United-Residue Force Field
(UNRES) for Protein Folding Simulations
A. Liwo, C. Czaplewski, St. Ołdziej, U. Kozłowska,
M. Makowski,
S. Kalinowski, R. Kaźmierkiewicz, H. Shen,
G. Maisuradze,
H. A. Scheraga
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Transition Metal Centers in Biological Matrices:
Why Nature Has Chosen Vanadate as
Cofactor for Haloperoxidase
D. Geibig, R. Wilcken, M. Bangesh, W. Plass
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Chemistry |
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Introduction
M. Parrinello
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A Density-Functional Study of Nitrogen and Oxygen Mobility in Fluorite-Type Tantalum Oxynitrides
H. Wolff, B. Eck, R. Dronskowski
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First-Principles Molecular Dynamics Simulations of Liquids and Solvent Effects
J. Thar, B. Kirchner
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First-Principles Lattice Dynamics Calculations of the Phase
Boundary Between β-Si3N4 and γ-Si3N4 at
Elevated Temperatures and Pressures
A. Togo, P. Kroll
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Glycine at the Pyrite-Water Interface:
An ab initio Metadynamics Study
N. N. Nair, E. Schreiner, D. Marx
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Supramolecular Chemistry from Supercomputers
W. Reckien, Ch. Spickermann, Th. Bredow, B. Kirchner
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Elementary Particle Physics |
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Introduction
R. Kenway
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Maximally Twisted Mass Fermions: Towards the Chiral Regime of Lattice QCD
K. Jansen
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Hadron Spectrum of QCD with one Quark Flavour
F. Farchioni, I. Montvay, G. Münster, E. E. Scholz, T. Sudmann,
J. Wuilloud
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The Transverse Spin Structure of the Nucleon
G. Schierholz
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Exploring the ΔI=1/2 Rule in
Non-Leptonic Kaon Decays
P. Hernández, M. Laine, B. Knippschild, C. Pena, Th. Tilli, E. Torró,
J. Wennekers, H. Wittig
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Materials Science |
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Introduction
R. O. Jones
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Dilute Magnetic Semiconductors
L. Bergqvist, P. H. Dederichs
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Large-Scale First-Principles Calculations of
Magnetic Nanoparticles
M. E. Gruner, G. Rollmann, P. Entel
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Structural Patterns in Ge/Sb/Te Phase-Change Materials
J. Akola, R. O. Jones
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Density Functional Modeling of Magnesia Supported Pd Clusters:
On the Road to an Understanding of
Nanoscale Catalysis
B. Huber, P. Koskinen, H. Häkkinen, M. Moseler
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Structural, Electronic, and Optical Properties of Semiconductor Nanocrystallites
L. E. Ramos, F. Bechstedt
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Condensed Matter |
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Introduction
K. Binder, A. Muramatsu
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Numerical Simulations of Heavy Fermion Systems
L. C. Martin, F. F. Assaad, W. Hanke
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Molecular Dynamics Computer Simulation of Multicomponent
Liquids: From Effective Potentials to Crystallization from the
Melt
A. Kerrache, A. Carré, J. Horbach, K. Binder
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Ab initio Molecular Dynamics Simulations of the Adsorption
of H2 on Palladium Surfaces
A. Groß
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Boundary Effects in Microfluidic Setups
J. Harting, C. Kunert
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Free-Energy Barriers of Spin Glasses
E. Bittner, A. Nußbaumer, W. Janke
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Realistic Description of TTF-TCNQ - a Strongly Correlated Organic Metal
A. Dolfen, E. Koch
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Soft Matter- and Nano-Systems: Computer Simulations
F. Bürzle, K. Franzrahe, P. Henseler, Ch. Schieback, M. Dreher,
J. Neder, W. Quester, D. Mutter, M. Schach, P. Nielaba
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Computational Soft Matter Sience |
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Introduction
K. Kremer
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Accurate Measurement of Free Energies of Self-Assembling Systems by Computer Simulation
M. Müller, K. Ch. Daoulas
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Molecular Dynamics Simulations of
PVA / Pt(111) Interfaces
K. B. Tarmyshov, F. Müller-Plathe
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Effective Protein Interactions in a Coarse-Grained Model for Lipid Membranes
B. West, F. Schmid
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Earth and Environment |
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Introduction
U. Hansen
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Fluids Under Extreme Conditions of Pressure and Temperature
and their Role in Geological Processes
S. Jahn
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High-Resolution Modelling of Phytoplankton Distribution and Adaptation
M. Losch, M. Schröder, S. Hohn, Ch. Völker
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Computer Science and Numerical Mathematics |
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Introduction
M. Griebel
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Coarse Grid Classification: AMG on Parallel Computers
M. Griebel, B. Metsch, M. A. Schweitzer
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Jülich Blue Gene/L Scaling Workshop 2006
W. Frings, M.-A. Hermanns, B. Mohr, B. Orth
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Scalable Performance Analysis Methods for the Next Generation
of Supercomputers
F. Wolf, D. Becker, M. Geimer, B. J. N. Wylie
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Hydrodynamics and Turbulence |
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Introduction
P. Grassberger
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Towards Shape Optimization for Ventricular Assist Devices Using Parallel Stabilized FEM
M. Behbahani, M. Behr, M. Nicolai, M. Probst
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Massively Parallel Simulations of Lagrangian Plasma Turbulence
H. Homann, T. Hater, C. Beetz, C. Schwarz, J. Dreher, R. Grauer
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The Fine-Scale Structure of Turbulence
J. Schumacher, M. S. Emran, B. Eckhardt
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Lyapunov Instabilities of Extended Systems
H. Yang, G. Radons
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