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Macromolecular Simulation: A Computational Perspective
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16 Feb 2004 | | Contributor(s):: Robert D. Skeel
The study of cold atomic gases is exploding, driven largely by the rapid experimental developments. This field has become highly interdisciplinary, connecting a great variety of interesting problems: weakly and strongly correlated quantum condensed matters, nuclear matters, and physics of low...
Electronic Transport Through Self-Assembled Monolayers
25 Feb 2004 | | Contributor(s):: Takhee Lee
Characterization of charge transport in molecular scale electronic devices has to date shown exquisite sensitivity to specifics of device fabrication and preparation. Thus, intrinsic molecular band structure has been problematic to extract from published results. Here we demonstrate...
Nanoelectronics/Mechanics With Carbon Nanotubes
26 Feb 2004 | | Contributor(s)::
In this talk, I will present efforts to understand electrical/mechanical properties of carbon nanotubes (CNTs) by combining electric transport measurements and the scanning probe microscopy.
Contacting Molecules - Chemistry in Molecular Electronics
12 Apr 2004 | | Contributor(s)::
The study of the basic electron transport mechanism through molecular systems has been made accessible by fabrication techniques that create metallic contacts to a small number of organic molecules. In my talk, I will discuss some of the groundbreaking discoveries such as the measurement of the...
Structure and Ion Permeation of the Gramicidin Channel using Molecular Dynamics
Molecular dynamics (MD) has become an essential tool for obtaining microscopic insight into biological function. The gramicidin channel as an excellent benchmark system for this purpose. Using extensive MD simulations with explicit solvent and membrane, we determine the backbone structure and...
Inelastic Effects in Molecular Conduction
12 Apr 2004 | | Contributor(s):: Abraham Nitzan
Molecular electron transfer, as treated by the Marcus theory, strongly depends on nuclear motion as a way to achieve critical configurations in which charge rearrangement is possible. The electron tunneling process itself is assumed to occur in a static nuclear environment. In the application of...