Quantum transport in DNA-based molecular wires | QDNA2


Funding period:Jan. 1, 2008 to Dec. 31, 2012
Agency: DFG

Description

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:
1. further methodological developments mainly related to the formulation of more general models for incoherent transport and on the self-consistent calculation of hole dynamics;
2. 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.

Quantum transport in DNA-based molecular wires | QDNA2


Funding period:Jan. 1, 2008 to Dec. 31, 2012
Agency: DFG

Description

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:
1. further methodological developments mainly related to the formulation of more general models for incoherent transport and on the self-consistent calculation of hole dynamics;
2. 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.