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Birck Nanotechnology Seminar Series

Computer Simulation of Nanoparticles, Viruses, and Electrical Power-Generating Bacteria

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Contributor(s) Peter J. Ortoleva
Indiana University
Abstract Models of cells and nanometer-scale biosystems are presented that clarify their physico-chemical characteristics and allow for computer- aided design of therapeutic and nanotechnical devices. Multiscale techniques are used to obtain rigorous, coarse-grained equations for the migration and structural transitions of viruses and other bionanostructures. The theory starts with the N-atom Liouville equation and arrives at Langevin equations for the fluctuating dynamics of order parameters characterizing the state of major nanoscale components (e.g., protomers, pentamers, and hexamers for viral capsids). Application of the theory to macromolecules is also illustrated.

A phenomenological approach is used to analyze electrical power generating bacteria. A microbial fuel cell is described in terms of a circuit diagram accounting for nanowires. These wires are self- assembled by the bacterium to mediate electron transfer processes. When the bacteria, electrodes, and substrate-bearing fluids are correctly configured, the system constitutes a bacterial fuel cell capable of directly converting organic waste into electrical power.
Biography Peter J. Ortoleva is a Distinguished Professor and Director of the Indiana University Center for Cell and Virus Theory in the Department of Chemistry. He received his Ph.D. in Applied Physics at Cornell University, was a Postdoc in the Department of Chemistry at MIT, and joined the faculty of the Department of Chemistry at Indiana University in 1975. He has published over 187 refereed papers, 3 monographs, and 3 edited volumes. His research interests include: the theory of reaction-transport mechanical systems; chemical kinetic; statistical mechanics; cell and virus modeling; regulatory network discovery; and nonlinear dynamical systems theory.
Sponsored by The Birk Nanotechnology Center
The Bindley Bioscience Center
Purdue Discovery Park
The NASA Institute for Nanoelectronics and Computing
The Network for Computational Nanotechnology
VEECO
NCN Student Leadership Council
Department of Chemistry
Department of Physics
School of Chemical Engineering
School of Electrical and Computer Engineering
School of Mechanical Engineering
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If you reference this work in a publication, please cite as follows:

  • Ortoleva, Peter J. (2007), "Computer Simulation of Nanoparticles, Viruses, and Electrical Power-Generating Bacteria," http://www.nanohub.org/resources/2485/.

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Date posted 20 Mar, 2007
Time 10:30 AM, March 01, 2007
Location Birck Nanotechnology Building, Room 1001
Type Online Presentations
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