Free energies and kinetics of molecular systems from coarse master equations
Gerhard Hummer, Laboratory of Chemical Physics, NIDDK, National Institutes of Health

Coarse master equations and diffusion models provide powerful tools to study the equilibrium and non-equilibrium properties of molecular systems.  Maximum likelihood and Bayesian approaches have been used successfully to construct such models from the observed dynamics projected onto discrete and continuous low-
dimensional sub-spaces.  By using a Green's-function based formalism, issues ariising from fast non-Markovian dynamics can be circumvented.  The general formalism for the construction of coarse master equations will be illustrated with examples ranging from molecular fluids to protein folding.