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.
References:
[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).
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.
References:
[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).
