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Computing the Horribleness of Soft Condensed Matter
Online Presentations | 19 Oct 2007 | Contributor(s):: Eric Jakobsson
A great triumph of computer simulations 40 years ago was to make the liquid state of matter understandable in terms of physical interactions between individual molecules. Prior to the first simulations of liquid argon and liquid water in the 1960's, there was no quantitatively rigorous molecular...
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From Research to Learning in Chemistry through Visualization and Computation
Online Presentations | 17 May 2007 | Contributor(s):: Eric Jakobsson
Modern chemistry research and high school chemistry education are separated by institutional and geographical boundaries. As such, much of secondary chemistry education is still based on the periodic table instead of the computational methods that drive current chemistry research. In this talk,...
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PNP Cyclic Peptide Ion Channel Model
Tools | 04 Apr 2007 | 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.
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Potassium Channels: Conduction, Selectivity, Blockage, Inactivation, and Gating
Online Presentations | 03 Nov 2006 | Contributor(s):: Benoit Roux, NCN at Northwestern University
The determination of the structure of the KcsA K+ channel fromStreptomyces lividan has made it possible to investigate the functionof a biological channel at the atomic level. Because of its structuralsimilarity with eukaryotic K-channels, investigations of KcsA areexpected to help understand a...
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Review of Several Quantum Solvers and Applications
Online Presentations | 11 Jun 2004 | Contributor(s):: Umberto Ravaioli
Review of Several Quantum Solvers and Applications