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Computational Soft Matter: From Synthetic Polymers to Proteins

Winter School
Gustav-Stresemann-Institut, Bonn, Germany
29 February - 6 March 2004

Scope | Committees | Programme | Proceedings | Posters

 

Emblem of the Winter School "Computational Soft Matter: From Synthetic Polymers to Proteins" 2004

Scope

Computational Soft Matter has now become a very active field of research. Characteristic features are the nontrivial geometric structures that occur from the atomistic scales to the mesoscopic scales, importance of entropic effects, and cooperative complex dynamics. Different application fields
profit from the recent progress of simulation methods.

This Winter School will cover – after an introduction to Monte Carlo and Molecular Dynamics and approaches dealing with hydrodynamic flow – the following research topics:

  • Neutral polymers in solution, melt and the glassy state
  • Surfactants and membranes
  • Liquid crystals
  • Polyelectrolytes
  • Biopolymers, including proteins

The target group of the School are graduate students, postdocs, and young researchers in the areas of theoretical/computational physics, chemistry, and biophysics with basic knowledge of classical, statistical, and quantum mechanics. They will benefit from this School by learning about recent methodological advances within and outside their field of specialization. The Winter School is organized by the John
von Neumann-Institut für Computing (NIC, Forschungszentrum Jülich), Institut für Physik (Johannes Gutenberg-Universität Mainz), Max-Planck-Institut für Polymerforschung (Mainz), and Max-Planck-Institut für biophysikalische Chemie (Göttingen).

Participants of the Winter School "Computational Soft Matter: From Synthetic Polymers to Proteins" 2004Participants of the Winter School "Computational Soft Matter: From Synthetic Polymers to Proteins" 2004

Committees

Scientific Programme Committee
Norbert Attig (Forschungszentrum Jülich),
Kurt Binder (Johannes Gutenberg-Universität Mainz),
Helmut Grubmüller (Max-Planck-Institut für biophysikalische Chemie, Göttingen),
and Kurt Kremer (Max-Planck-Institut für Polymerforschung, Mainz)

Organizing Committee
Yasmin Abdel-Fattah, Rüdiger Esser, René Gail, Anke Reinartz, Anke Visser

Venue

The NIC Winter School will be held at the Gustav-Stresemann-Institut, Bonn, Germany, from February 29 to March 6, 2004. It will start on Sunday, February 29, 2004, with a welcome dinner and end on Friday, March 5, 2004, with a farewell dinner. Departure is on Saturday, March 6, 2004, after breakfast.
Participants will be accommodated in twin rooms at the Gustav-Stresemann-Institut. All meals and refreshments will be served at the cafeteria of the conference site.

Programme

Sunday, 29 February 2004

Get-Together Party and Registration (18:00 – 21:00 h) at the Gustav-Stresemann-Institut Bonn

 

Monday, 1 March 2004

8:00Registration (continued)
8:30Opening
N.N., NIC, Jülich
Kurt Binder, University of Mainz
9:00Daan Frenkel, FOM-Institute for Atomic and Molecular Physics, Amsterdam
Introduction to Monte Carlo Methods
10:30Coffee
11:00Jörg Baschnagel, Institute Charles Sadron, Strasbourg
Monte Carlo Simulation of Polymers: Coarse-grained Models
12:30 Lunch
13:30Mike P. Allen, University of Warwick
Introduction to Molecular Dynamics Simulations
15:00Coffee
15:30Christian Holm, Max Planck Institute for Polymer Research, Mainz
Dealing with Long Range Interactions: Polyelectrolytes

 

Tuesday, 2 March 2004

9:00Helmut G. Grubmüller, Max Planck Institute for Biophysical Chemistry, Göttingen
Proteins-1: Molecular Machines
10:30Coffee
11:00Burkhard Dünweg, Max Planck Institute for Polymer Research, Mainz
Advanced Simulations for Hydrodynamic Problems: Lattice Boltzmann and Dissipative Particle Dynamics
12:30 Lunch
13:30

Visit to Research Centre Jülich
Gerhard Gompper, Director IFF
Soft Matter Research in Jülich

N.N., Director ZAM/NIC
The John von Neumann Institute for Computing

Bernd Mohr, ZAM/NIC
Programming for Parallel High-Performance
Computers

18:00Reception and Dinner

 

Wednesday, 3 March 2004

9:00Klaus Schulten, Beckman Institute, University of Illinois, Urbana
Proteins-2: Multiscale Description
10:30Coffee
11:00Alan E. Mark, University of Groningen
Simulating Self-organization in Peptide and Lipid Systems
12:30 Lunch
13:30Poster Session A
15:00Coffee
15:30Friederike Schmid, University of Bielefeld
Surfactants at Interfaces: Simulation of Structure and Phase Behavior

 

Thursday, 4 March 2004

9:00Alexander Grosberg, University of Minnesota, Minneapolis
Statistical Mechanics Approach to Protein Folding
10:30Coffee
11:00Kurt Kremer, Max Planck Institute for Polymer Research, Mainz
Entangled Polymers: Dynamics and Structure Property Relations
12:30 Lunch
13:30Poster Session B
15:00Coffee
15:30Doros N. Theodorou, University of Patras
Advanced Methods to Equilibrate Polymer Melts


Friday, 5 March 2004

9:00Mike P. Allen, University of Warwick
Liquid Crystal Systems
10:30Coffee
11:00Gary Grest, Sandia National Laboratories, Albuquerque
Friction and Motion in Polymer Brushes
12:30 Lunch
13:30Marcus Müller, University of Mainz
Phase Behavior and Chain Conformations in Polymer Blends and Copolymer Mesophases
15:00Coffee
15:30Ole G. Mouritsen, Technical University of Denmark, Lyngby
A Lattice Model Approach to Biomembraness
19:00Farewell Dinner 


Proceedings

NIC Series Vol. 23 - Cover

The proceedings have been published in the NIC Series:

NIC Series Volume 23:
Computational Soft Matter: From Synthetic Polymers to Proteins - Lecture Note
edited by Norbert Attig, Kurt Binder, Helmut Grubmüller, Kurt Kremer
Winter School, 29 February - 06 March 2004, Gustav-Stresemann-Institut, Bonn, Germany
ISBN 3-00-012641-4
February 2004, 440 pages

Posters

NIC Series Vol. 22 - Cover

Abstracts of the poster presentations have been published in the NIC Series:

NIC Series Volume 22:
Computational Soft Matter: From Synthetic Polymers to Proteins - Poster Abstracts
edited by Norbert Attig, Kurt Binder, Helmut Grubmüller, Kurt Kremer
Winter School, 29 February - 06 March 2004, Gustav-Stresemann-Institut, Bonn, Germany
ISBN 3-00-012374-1
February 2004, 120 pages


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