Path Sampling Out of Equilibrium
Tanja Schilling (Albert-Ludwigs-Universität Freiburg)

In several branches of physical chemistry, biophysics and statistical physics it is common to use transition state theory to estimate rates of processes. Transition state theory and related approaches (such as Kramer's theory) are in essence quasi-equilibrium theories.
Computer simulation in soft matter and biophysics also often employs quasi-equilibrium concepts to model out-of-equilibrium processes.
In the colloquium, we give an overview over these concepts. Then we present a recent piece of work, in which we used time-dependent projection operator formalism to obtain coarse-grained dynamics out of equilibrium. Finally, as an illustration of a non-equilibrium path sampling method, we discuss the dynamics of the game of chess.