Charge migration in DNA based nanodevices (two lectures) (invited talk)
Wilhelm and Else Heraeus Summer School 2009: Quantum and Classical Simulation of Biological Systems and their Interaction with Technical Materials
2009.06.15-26; Bremen, Germany
The complex mechanisms governing charge migration in DNA oligomers reflect the rich structural and electronic properties of the molecule of life. I will present in the first of these two lectures simple experimental facts together with the basic tools for modeling charge transport in biomolecules based on density-functional-theory-based calculations. In the second lecture recent experiments and theories will be reviewed. In particular I will present results emerging from a hybrid method based on the combination of quantum/classical molecular dynamics (MD) simulations and model Hamiltonian approaches to describe charge transport through biomolecular wires with variable lengths in the presence of a solvent.
 R. Gutierrez, et al., "Charge transport through bio-molecular wires in a solvent: Bridging molecular dynamics and model Hamiltonian approaches ", Physical Review Letters 102, 208102 (2009).
 E. Shapir, et al., "Electronic structure of single DNA molecules resolved by transverse scanning tunneling spectroscopy", Nature Materials 7, 68 (2008).
 B. Song, et al., "Anomalous conductance response of DNA wires understretching", Nano Letters 8, 3217 (2008).
 D. Porath, et al., "Charge transport in DNA-based devices", Topicsin Current Chemistry 237, 183 (2004).
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Prof. Dr. Gianaurelio Cuniberti
Institute for Materials Science
visitors and courier address:
01062 Dresden, Germany