International Workshop on
Classical and Quantum Dynamical Simulations in Chemical and Biological Physics

June 6 - 11, 2005

Scientific coordinators:
Ulrich Kleinekathöfer (Technische Universität Chemnitz, Germany)
Jasper Knoester (University of Groningen, The Netherlands)
Michael Schreiber (Technische Universität Chemnitz, Germany)

Organisation:
Katrin Lantsch (MPIPKS Dresden, Germany)

Recent technological breakthroughs such as ultra-fast pulsed lasers and crystallography of macromolecules, helped to improve the experimental tools of physicists working, in particular, in the area of chemical and biological physics. High performance computing on the other hand significantly enhanced the possibilities for simulations of these systems. For small systems with a few degrees of freedom it is possible to treat the dynamics fully quantum mechanically. Already these small systems exhibit a huge variety of phenomena. However, in large and complex physical systems it is impossible to treat all degrees of freedom quantum mechanically. In many cases one possible solution is to set up a model with a few relevant modes and to treat the rest of the system as a thermal bath. A fully quantum-mechanical treatment of static and/or dynamical properties on an atomic-level is out of reach for bigger molecules within an environment such as a surrounding liquid or protein structure. Therefore one often restricts calculations to classical molecular-dynamics or hybrid simulations for an atomic-level description. Despite the apparent differences in the methods of investigation (quantum mechanical, classical, hybrid), the systems of interest are quite often very similar.
Nevertheless, the research community remains strongly divided by traditional boundaries. The main goal of this interdisciplinary workshop is to encourage interaction and information exchange between different fields.

The main topics of the workshop are
• Dynamics in the gas phase and coherent control
• Exciton transfer in organic and biological systems
• Dissipation and nanostructures
• Modelling of biomolecules

List of invited speakers:
S. Abe (Tsukuba), V. Agranovich (Troitsk), J. Ankerhold (Freiburg), M. Cho* (Seoul) R. de Vivie-Riedle (München), M. Dittrich (Urbana), M. Elstner (Paderborn), V. Engel (Würzburg), D. Evans (Albuquerque), R. Everaers (Dresden), H. Grubmüller (Göttingen), P. Hänggi (Augsburg), V. Helms (Saarbrücken), J. Herek (Amsterdam), J. Hirst (Nottingham), O. Kühn (Berlin), Y. Lozovik* (Troitsk), V. May (Berlin), T. Martinez (Urbana), D. Marx* (Bochum), A. Materny (Bremen), A. Neufeld (Göttingen), P. Nielaba (Konstanz), A. Nitzan (Tel Aviv), P. Petelenz (Cracow), O. Prezhdo (Seattle), P. Reineker (Ulm), J.-M. Rost (Dresden), J. Shao (Beijing), R. Silbey (Boston), F. Spano* (Temple), I. Sola (Madrid), G. Stock (Frankfurt), C. Taliani (Bologna), D. Tannor* (Rehovot), A. Tokmakoff (Boston), W. van Gunsteren* (Zürich), R. van Grondelle* (Amsterdam), U. Weiss (Stuttgart), Y. Yan (Hong Kong), M. Zacharias (Bremen)
(* to be confirmed)

Application forms can be filled in online on the workshop's webpage. The deadline for applications is March 31, 2005. The registration fee is 100 Euro. Costs for accommodation and meals will be covered by the Max Planck Institute for the Physics of Complex Systems. In exceptional cases, limited funding is available to partly cover travel expenses, particularly for younger participants.

For further information please e-mail to: simula05@mpipks-dresden.mpg.de