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Charge Transport in DNA - Insights from Simulations

Charge transport and charge transfer (CT) capabilities of deoxyribonucleic acid (DNA) are investigated. A QM/MM multi-scale framework is applied to calculate the CT capabilities of DNA under conditions resembling the experimental setup. The simulations are able to explain and predict the outcome of...

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Bibliographic Details
Main Author: Wolter, Mario (auth)
Format: Electronic Book Chapter
Language:English
Published: KIT Scientific Publishing 2013
Subjects:
Chemistry
Charge Transfer
Molecular Dynamics
Charge Transport
Quantum Mechanics
DNA
Online Access:DOAB: download the publication
DOAB: description of the publication
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Description
Summary:Charge transport and charge transfer (CT) capabilities of deoxyribonucleic acid (DNA) are investigated. A QM/MM multi-scale framework is applied to calculate the CT capabilities of DNA under conditions resembling the experimental setup. The simulations are able to explain and predict the outcome of experiments and therefore make suggestions in advance. Based on the findings, suitable DNA sequences can be opted for the design of DNA-based devices as nano-scale electronic elements.
Physical Description:1 electronic resource (VI, 139 p. p.)
ISBN:KSP/1000036065
9783731500827
Access:Open Access

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