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Simulators can produce all sorts of numbers, but the numbers themselves aren't terribly meaningful until they are put into context by visualization techniques. For example, the coordinates of the various atoms in a molecule don't readily convey the shape of the molecule, but once those coordinates are loaded into VMD, the the resulting picture conveys not only the shape of the molecule, but other important properties as well.
Learn more about visualization techniques from the resources on this site, listed below.
Northwestern University Initiative for Teaching Nanoscience
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12 Aug 2008 | Tools | Contributor(s): Baudilio Tejerina
This package allows users to study and analyze of molecular properties using various electronic structure methods.
Theoretical Electron Density Visualizer
01 Jul 2008 | Tools | Contributor(s): Baudilio Tejerina
TEDVis calculates and displays 3D maps of molecular ED and its derivatives from the wave function.
UV/Vis Spectra simulator
04 Mar 2008 | Tools | Contributor(s): Baudilio Tejerina
This tool computes molecular electronic spectra.
Molecular Structure Tracer
05 Feb 2008 | Tools | Contributor(s): Baudilio Tejerina
This tool provides a high quality display of molecular structures.
Quantum Dot Lab
12 Nov 2005 | Tools | Contributor(s): Gerhard Klimeck, Lars Bjaalie, Sebastian Steiger, David Ebert, Tillmann Christoph Kubis, Matteo Mannino, Michael McLennan, Hong-Hyun Park, Michael Povolotskyi
Compute the eigenstates of a particle in a box of various shapes including domes and pyramids.
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