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TU Dresden » Faculty of Mechanical Science and Engineering » Institute for Materials Science » Chair of Materials Science and Nanotechnology

» presentations   » 2009.06.15-26

Charge migration in DNA based nanodevices (two lectures) (invited talk)

G. Cuniberti

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.

[1] 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).
[2] E. Shapir, et al., "Electronic structure of single DNA molecules resolved by transverse scanning tunneling spectroscopy", Nature Materials 7, 68 (2008).
[3] B. Song, et al., "Anomalous conductance response of DNA wires understretching", Nano Letters 8, 3217 (2008).
[4] D. Porath, et al., "Charge transport in DNA-based devices", Topicsin Current Chemistry 237, 183 (2004).

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