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Size and Scale: A Walk from Kilometers to One Nanometer
17 Feb 2016 | Online Presentations | Contributor(s): Mark Ratner
A look at scale and size, walking from 1000 kilometers down to 1 nanometer.
TRANSpull: computes pulling coupled to transport properties of single molecules.
27 Jul 2011 | Tools | Contributor(s): Jason Hutcheson, Ignacio Franco, Renaud Nicolas, Marcelo Carignano, Mark Ratner, George C. Schatz
Calculates the electronic transport properties of single molecules as they are mechanically elongated.
MOLpull: A tool for molecular free energy reconstruction along a pulling coordinate
24 Aug 2010 | Tools | Contributor(s): Lisa Felberg, Ignacio Franco, Martin McCullagh, Mark Ratner, George C. Schatz, Marcelo Carignano
Estimates the force required for stretching a molecule and determines the potential of mean force along the extension coordinate.
Energy and Nanoscience A More Perfect Union
27 Mar 2009 | Online Presentations | Contributor(s): Mark Ratner
Huge problems of energy and sustainability confront the science/engineering community, mankind, and our planet. The energy problem comes in many dimensions, including supply, demand, conservation, transportation, and storage. This overview will stress the nature of these problems, and offer a...
MCW07 Modeling Charging-based Switching in Molecular Transport Junctions
5.0 out of 5 stars
23 Aug 2007 | Online Presentations | Contributor(s): Sina Yeganeh, , Mark Ratner
We will discuss several proposed explanations for the switching and negative differential resistance behavior seen in some molecular junctions. It is shown that a proposed polaron model is successful in predicting both hysteresis and NDR behavior, and the model is elaborated with image charge...
MCW07 Simple Models for Molecular Transport Junctions
0.0 out of 5 stars
13 Sep 2007 | Online Presentations | Contributor(s): , Abraham Nitzan, Mark Ratner
We review our recent research on role of interactions in molecular transport junctions. We consider simple models within nonequilibrium Green function approach (NEGF) in steady-state regime.
PNP Cyclic Peptide Ion Channel Model
04 Apr 2007 | Tools | Contributor(s): Brian Radak, Hyonseok Hwang, George C. Schatz, Mark Ratner
This tool simulates ion flow in a system modeled after cyclic peptide ion channels using Poisson-Nernst-Planck (PNP) theory.
Mark Ratner Interview on Nanotechnology
2.0 out of 5 stars
23 Mar 2006 | Online Presentations | Contributor(s): Mark Ratner, Krishna Madhavan
Nanotechnology interview with Krishna Madhavan.
Molecular Transport Structures: Elastic Scattering, Vibronic Effects and Beyond
4.5 out of 5 stars
13 Feb 2006 | Online Presentations | Contributor(s): Mark Ratner, Abraham Nitzan,
Current experimental efforts are clarifying quite beautifully the nature of charge transport in so-called molecular junctions, in which a single molecule provides the channel for current flow between two electrodes. The theoretical modeling of such structures is challenging, because of the...
A Gentle Introduction to Nanotechnology and Nanoscience
13 Feb 2006 | Online Presentations | Contributor(s): Mark Ratner
While the Greek root nano just means dwarf, the nanoscale has become a giant focus of contemporary science and technology. We will examine the fundamental issues underlying the excitement involved in nanoscale research - what, why and how. Specific topics include assembly, properties,...
DNA Charge Motion: Regimes and Behaviors
28 Jul 2005 | Online Presentations | Contributor(s): Mark Ratner
Because DNA is a quasi-one-dimensional species, and because each base is a pi-type chromphore, it was long ago suggested that DNA could conduct electricity. This has become a widely investigated area, and remains of interest for fundamental science and for applications. We will discuss a very...
Quantum Chemistry Part I
08 Jul 2004 | Online Presentations | Contributor(s): Mark Ratner
This tutorial will provide an overview of electronic structure calculations from achemist's perspective. This will include a review of the basic electronic structuretheories.