RU Seminar - 14.07.21 Mike Castellano "Hopping conduction through biopolymers"

We give an outline of the problems encountered and the methods used in the P3 project of the research unit. In our work, we aim at computing the parameters relevant for biological charge transfer in the regime of a strong coupling of the electronic degrees of freedom to the environment. We plan to study proteins with iron-based centers of electron localization at equilibrium and in situations far from equilibrium, e.g. within a membrane or a nanoscopic setup. To estimate the characteristic parameters of charge transfer and their dependence on the environment, we apply the numerical solution of the Poisson equation via finite differences. We formulate the equations relevant to electronic transport and discuss numerical aspects of their solution.