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Illinois Tools: NanoGromacs_Intro
07 May 2008 | Tools | Contributor(s): Dairui Chen, Jay Mashl, Nahil Sobh, Eric Jakobsson
Implementation of the popular molecular dynamics software suite GROMACS
The Functional Protocell concept
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23 Mar 2008 | Online Presentations | Contributor(s): Eric Jakobsson
We have invented and created the first prototype of the Functional Protocell.We define the “functional protocell" as a nanoporous solid surrounded by a membrane. The cavities in the solid can be filled with any desired electrolyte up to the limit of solubility. The surrounding membrane can...
Illinois Tools: NanoGromacs
27 Feb 2008 | Tools | Contributor(s): Dairui Chen, Derrick Kearney, Jay Mashl, Nahil Sobh, Eric Jakobsson
Computing the Horribleness of Soft Condensed Matter
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19 Oct 2007 | Online Presentations | 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...
From Research to Learning in Chemistry through Visualization and Computation
17 May 2007 | Online Presentations | 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,...
Illinois 2007 Nano-Bio Workshop with nanoHUB Summer School and User Forum
27 Apr 2007 | Workshops | Contributor(s): Narayan Aluru, Eric Jakobsson, Umberto Ravaioli, Dave Mattson, Gerhard Klimeck, Michael McLennan
This summer, on the campus of the University of Illinois, the NCDBN and NCN@UIUC will hold a scientific meeting on "Experimental and Computational Approaches to Understanding Membrane Assemblies and Permeation," a nanoHUB user forum, and a summer school on "Multiscale Theory, Simulation, and...
Illinois Tools: NanoGromacsDemo
30 Oct 2006 | Tools | Contributor(s): Dairui Chen, Derrick Kearney, Jay Mashl, Nahil Sobh, Eric Jakobsson