Direct simulation of rare events following Darwin
- Event time: 1:00pm
- Event date: 2nd June 2008
- Speaker: Julien Tailleur (Formerly School of Physics & Astronomy, University of Edinburgh)
- Location: Room 2511, James Clerk Maxwell Building (JCMB) James Clerk Maxwell Building Peter Guthrie Tait Road Edinburgh EH9 3FD GB
A situation often met in chemical reactions, protein folding and nucleation transitions is that the evolution breaks into fast local relaxations and rare activation processes. In the presence of such a separation of timescales, it is hopeless to try to characterize the rare transitions by a direct simulations of the microscopic dynamics, as the simulation time would be gigantic. To circumvent this difficulty, many tricks can be used to modify the microscopic dynamics and 'facilitate' the transition. Here I will follow a different approach: rather than evolving the system with its microscopic dynamics I will explain how one can directly simulate the probability current, which flows at long time between metastable states, thus yielding reaction paths and reaction rates.
This is a weekly series of informal talks given primarily by members of the soft condensed matter and statistical mechanics groups, but is also open to members of other groups and external visitors. The aim of the series is to promote discussion and learning of various topics at a level suitable to the broad background of the group. Everyone is welcome to attend..