Computational Soft Matter: from Synthetic Polymers to Proteins Edited by Norbert Attig Kurt Binder Helmut Grubmuller Kurt Kremer

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Computational Soft Matter: from Synthetic Polymers to Proteins Edited by Norbert Attig Kurt Binder Helmut Grubmuller Kurt Kremer

John von Neumann Institute for Computing (NIC) Computational Soft Matter: From Synthetic Polymers to Proteins edited by Norbert Attig Kurt Binder Helmut Grubmuller Kurt Kremer Winter School, 29 February - 6 March 2004 Gustav-Stresemann-lnstitut, Bonn, Germany Poster Abstracts organized by John von Neumann Institute for Computing Johannes Gutenberg University of Mainz Max Planck Institute for Biophysical Chemistry, Gottingen Max Planck Institute for Polymer Research, Mainz NIC Series Volume 22 ISBN 3-00-012374-1 Programme Computational Soft Matter: From Synthetic Polymers to Proteins NIC Winter School 29 February - 6 March 2004 Gustav-Stresemann-Institut, Bonn, Germany Monday, 1 March 09:00-10:30 Daan Frenkel Introduction to Monte Carlo Methods 10:30-11:00 Coffee Break 11:00-12:30 Jorg Baschnagel Monte Carlo Simulation of Polymers: Coarse-Grained Models 12:30-13:30 Lunch Break 13:30-15:00 Mike P. Allen Introduction to Molecular Dynamics Simulations 15:00-15:30 Coffee Break 15:30-17:00 Christian Holm Dealing with Long Range Interactions: Polyelectrolytes Tuesday, 2 March 09:00-10:30 Wolfgang Paul Chemically Realistic Simulations of Polymer Melts: Equilibration Is- sues and the Study of Relaxation Processes 10:30-11:00 Coffee Break 11:00-12:30 Burkhard Diinweg Advanced Simulations for Hydrodynamic Problems: Lattice Boltzmann and Dissipative Particle Dynamics 12:30-13:30 Lunch Break 13:30-21:30 Excursion to the Research Centre Jiilich Gerhard Gompper Soft Matter Research in Jiilich Thomas Lippert The John von Neumann Institute for Computing Bernd Mohr Parallel Programming Models and Tools Reception and Dinner at the See-Casino Wednesday, 3 March 09:00-10:30 Klaus Schulten Protein Mechanics 10:30-11:00 Coffee Break 11:00-12:30 Alan E.Mark Simulating Self-Organization in Peptide and Lipid Systems 12:30-13:30 Lunch Break 13:30-15:00 Poster Session A 15:00-15:30 Coffee Break 15:30-17:00 Friederike Schmid Surfactants at Interfaces: Simulation of Structure and Phase Behavior Thursday, 4 March 09:00-10:30 Alexander Grosberg Statistical Mechanics Approach to Protein Folding 10:30-11:00 Coffee Break 11:00-12:30 Kurt Kremer Entangled Polymers: Dynamics and Structure Property Relations 12:30-13:30 Lunch Break 13:30-15:00 Poster Session B 15:00-15:30 Coffee Break 15:30-17:00 Helmut G. Grubmiiller Molecular Machines Friday, 5 March 09:00-10:30 Mike P. Allen Liquid Crystal Systems 10:30-11:00 Coffee Break 11:00-12:30 Cameron F. Abrams Inhomogeneous Coarse-Graining of Polymers and Polymer/Metal In- terfaces 12:30-13:30 Lunch Break 13:30-15:00 Ole G. Mouritsen A Lattice Model Approach to Biomembranes 15:00-15:30 Coffee Break 15:30-17:00 Marcus Mtiller Phase Behavior and Chain Conformations in Polymer Blends and Copolymer Mesophases.

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Table of Contents From the Past to the Future 7 G. Wegner RESEA R CH PR OG R AM S ST R UCTU R E AND DYNAMIC S Structure and Dynamics 13 K. Kremer, H.W. Spiess Single Chains: Non-linear Polymer Dynamics 15 T.A. Vilgis Multiscale Modelling of Structurally Organized Systems 16 C. Peter, N.F.A. van der Vegt Predicting Polymer Dynamics without Adjustable Parameters 17 K. Kremer Structure Formation by Ionic Interaction 18 F. Gröhn, C. Holm, D. Hinderberger Structural and Dynamic Inhomogeneities in Thermoresponsive Hydrogels 20 U. Jonas, G. Fytas, D. Hinderberger Critical Phenomena in Soft Matter 21 K. Binder Chain Diffusion in Semi-Crystalline Polymers 22 R. Graf, H.W. Spiess Matter Diffusion in Nanoporous Media and Dense Polymer Systems by Fluorescence Correlation Spectroscopy 23 G. Fytas, K. Koynov Nanoparticles for Central Nervous System Targeting 24 C.K. Weiss Elasticity of Hollow Microcapsules 25 G.K. Auernhammer, D. Vollmer, M. Kappl, G. Fytas Non-Equilibrium Soft Matter Dynamics 26 H. Pleiner Polymers and Colloids in Non-Equilibrium Conditions 27 B. Dünweg Non-Equilibrium Phenomena in External Shear-Field 28 S. Rathgeber Phase Separation Under Continuous Cooling: Droplets and Satellite Droplets 29 D. Vollmer, G.K. Auernhammer, H. Pleiner Colloids in Electric Fields: Localized Hydrodynamic Instabilities 30 D. Vollmer, G.K. Auernhammer, H.-J. Butt SU R FACES AND INTE R FACE S Surfaces and Interfaces 33 H.-J. Butt Colloid Probe Technique 34 M. Kappl, H.-J. Butt Nanolithography with Nanoparticles 35 K. Landfester Evaporation of Microdrops 36 E. Bonaccurso, K. Graf, H.-J.
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