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List of speakers at WSMS 2009

Winter School "Multiscale Simulation Methods in Molecular Sciences" 2009

Dr. Jörg Behler
Center for Theoretical Chemistry, Ruhr-Universität Bochum, Germany
Coarse Grained Electronic Structure Using Neural Networks

Dr. Luigi Delle Site
Max-Planck Institute for Polymer Research, Mainz, Germany
Adaptive Resolution Schemes

Prof. Dr. Ralf Drautz
Interdisciplinary Centre for Advanced Materials Simulation, Ruhr-Universität Bochum, Germany
Bond-Order Potentials for Bridging the Electronic to Atomistic Modelling Hierarchies

Prof. Dr. Burkhard Dünweg
Max-Planck Institute for Polymer Research, Mainz, Germany
Computer Simulations of Systems with Hydrodynamic Interactions: The Coupled Molecular Dynamics – Lattice Boltzmann Approach

Prof. Dr. Marcus Elstner
Institute for Physical and Theoretical Chemistry, Technische Universität Braunschweig, Germany
Multiscale Methods for the Description of Chemical Events in Biological Systems

Prof. Dr. Stefan Goedecker
Department of Physics und Astronomy, University of Basel, Switzerland
Wavelets and Their Application for the Solution of Poisson's and Schrödinger's Equation

Prof. Dr. Christof Hättig
Center for Theoretical Chemistry, Ruhr-Universität Bochum, Germany
Electronic Structure:
Hartree-Fock and Correlation Methods

Dr. Bernd Körfgen
Institute for Advanced Simulation - Jülich Supercomputing Centre, Forschungszentrum Jülich, Germany
Strategies for Implementing Scientific Applications on Parallel Computers

Prof. Dr. Peter Kratzer
Department of Physics, Universität Duisburg-Essen, Germany
Monte Carlo and Kinetic Monte Carlo Methods – A Tutorial

Prof. Dr. Kurt Kremer
Max-Planck Institute for Polymer Research, Mainz, Germany
Soft Matter, Fundamentals and Coarse Graining Strategies

Dr. Phivos Mavropoulos
Institute of Solid State Research, Forschungszentrum Jülich, Germany
Multiscale Modelling of Magnetic Materials: From the Total Energy of the Homogeneous Electron Gas to the Curie Temperature of Ferromagnets

Dr. Bernd Mohr
Institute for Advanced Simulation - Jülich Supercomputing Centre, Forschungszentrum Jülich, Germany
Introduction to Parallel Computing

Prof. Dr. Stefan Müller
Institute of Condensed Matter Physics, Universität Erlangen-Nürnberg, Germany
First-Principles Based Multiscale Modelling of Alloys

Prof. Dr. Aiichiro Nakano
Collaboratory for Advanced Computing and Simulations (CACS), University of Southern California, Los Angeles, California
Large Spatiotemporal-Scale Material Simulations on Petaflops Computers

Prof. Dr. Mike Payne
Cavendish Laboratory, University of Cambridge, United Kingdom
DFT Embedding and Coarse Graining Techniques

Prof. Dr. Anthony T. Paxton
Department of Physics and Astronomy, Queen's University Belfast, United Kingdom
An Introduction to the Tight Binding Approximation – Implementation by Diagonalisation

Prof. Dr. Arnold Reusken
Institute for Geometry and Applied Mathematics, RWTH Aachen University, Germany
Introduction to Multigrid Methods for Elliptic Boundary Value Problems

Dr. Karsten Reuter
Fritz Haber Institute, Max-Planck Society, Berlin, Germany
First-Principles Statistical Mechanics Approaches to Surface Physics and Catalysis

Dr. Godehard Sutmann
Institute for Advanced Simulation - Jülich Supercomputing Centre, Forschungszentrum Jülich, Germany
Molecular Dynamics - Extending the Scale from Microscopic to Mesoscopic

Prof. Dr. Klaus Schulten
Beckman Institute, University of Illinois at Urbana-Champaign
Application of Residue-Based and Shape-Based Coarse Graining to Biomolecular Simulations

Prof. Dr. Walter Thiel
Max Planck Institute for Coal Research, Mülheim an der Ruhr, Germany
QM/MM Methodology: Fundamentals, Scope, and Limitations

Prof. Dr. Mark E. Tuckerman
Department of Chemistry and Courant Institute of Mathematical Sciences, New York University
Two Topics in Ab Initio Molecular Dynamics: Multiple Length Scales and Exploration of Free-Energy Surfaces

Dr. Wolfgang Wenzel
Institut für Nanotechnologie, Forschungszentrum Karlsruhe, Germany
De Novo Protein Folding with Distributed Computational Resources

Dr. Rudolf Zeller
Institute of Solid State Research, Forschungszentrum Jülich, Germany
Density Functional Theory and Linear Scaling