The Priority Program ``Quantum transport at the molecular scale (SPP1243)'' is a German based network. Our group together with Prof. Marcus Elstner (Karlsruhe) participates in the Priority Program with the project ``Quantum transport in DNA-based molecular wires''.
The project main goal is to theoretically investigate the
interplay between quantum transport (coherent and
incoherent), disorder and stretching effects in DNA-based
molecular wires, which are the focus of recent
experimental work. The complexity of this
issue makes necessary to use both density functional
theory and model Hamiltonian
approaches. The goals of the current third phase is:
further methodological developments mainly related to the formulation of more general models for incoherent transport and on the self-consistent calculation of hole dynamics;
demonstrating that our approach can be successfully applied not only to deal with charge migration in biomolecular systems but also in polymers and organic crystals. With this, we expect to provide a general framework for describing charge motion in strongly time-fluctuating environments.