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DY: Dynamik und Statistische Physik

DY 40: Statistical Physics (General) I

DY 40.1: Hauptvortrag

Dienstag, 8. März 2005, 10:00–10:30, TU H3010

Exploring Complex Dynamics with Transition Path Sampling — •Christoph Dellago — University of Vienna, Institute for Experimental Physics, Boltzmanngasse 5, A-1090 Vienna, Austria

Numerous processes occurring in complex systems are governed by rare but important dynamical trajectories. Examples include the nucleation of first order phase transitions, chemical reactions and transport in and on solids. Such processes can be studied with transition path sampling, a computational methodology capable of bridging the time scale gap arising in these systems. Within this perspective, ensembles of trajectories can be sampled and manipulated in close analogy to standard techniques of statistical mechanics. I will discuss the statistical view of dynamics underlying the method and then report on the application of transition path sampling to the calculation of equilibrium free energies from non-equilibrium transformations on the basis of Jarzynski’s theorem.