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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.
MD Showcase: Epoxy uniaxial tension
31 Oct 2016 |
Posted by Lorena Alzate-Vargas
Introduction to Visualization
19 Oct 2016 | Online Presentations
Vetria L. Byrd is an Assistant Professor in the Department of Computer Graphics Technology (CGT) in the Purdue Polytechnic Institute. She holds a PhD in Computer Science, Master’s...
Exploring Materials Properties with Nanomaterial Mechanics Explorer Structure Files
24 Mar 2016 | Teaching Materials | Contributor(s): Tanya Faltens
This document describes how to generate and download simulation output files from the Nanomaterial Mechanics Explorer on nanoHUB and view them locally using OVITO. This can be particularly useful...
axes label and the zero point
Closed | Responses: 2
It would be helpful to position the axes labels at the end of the each axis. The current display is not clear.
Also the zero point is printed as a small number in scientific notation...
[Illinois] Introduction to Cell Visualization
14 Jun 2013 | Online Presentations | Contributor(s): Emad Tajkhorshid
Professor Emad Tajkhorshid speaks to University Laboratory High School students about his research in Computational Studies of Membranes and Membrane Associated Phenomena
Membrane proteins are...
Rappture Bootcamp 2.5: Advanced Visualization
16 Jul 2012 | Online Presentations | Contributor(s): Michael McLennan
Computer Graphics Imagery for Motion Pictures and Commercial Advertising: The Achievement of Highly-Realistic Images
19 Aug 2011 | Online Presentations | Contributor(s): Kenneth Torrance
The talk will review some of the underlying concepts from Radiation Heat Transfer that have now been implemented in synthetic images. In many cases, researchers in graphics have created...
Embedding visualization software into a tool in Rappture
Closed | Responses: 0
Is it possible to embed a third-party software GUI into one of my tool’s outputs through Rappture so that the user may use the visualization options available...
Electron Density in a Nanowire
30 Jan 2011 | Animations | Contributor(s): Gerhard Klimeck, Saumitra Raj Mehrotra
Electron Density in a circular Silicon nanowire transistor.
Tunneling in an Nanometer-Scaled Transistor
25 Jan 2011 | Animations | Contributor(s): Gerhard Klimeck, Mathieu Luisier, Neerav Kharche, George A. Howlett, Insoo Woo, David Ebert
Electrons tunneling through the gate of an ultra-scaled transistor.
0.0 out of 5 stars
18 Oct 2008 | Downloads | Contributor(s): Masahiko Suenaga
Facio is a 3D-graphics program for molecular modeling and visualization of quantum chemical calculations(GAMESS and Gaussian).
It is a GUI for FMO (Fragment MO) calculation. Selected features...
Northwestern University Initiative for Teaching Nanoscience
20 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
07 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
15 Apr 2008 | Tools | Contributor(s): Baudilio Tejerina
This tool computes molecular electronic spectra.
Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing
5.0 out of 5 stars
13 Feb 2008 | Teaching Materials | Contributor(s): Jeffrey C Grossman, Elif Ertekin
In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and non-derivative methods are discussed, as well as the...
Molecular Structure Tracer
05 Feb 2008 | Tools | Contributor(s): Baudilio Tejerina
This tool provides a high quality display of molecular structures.
Electrons in Two Dimensions: Quantum Corrals and Semiconductor Microstructures
04 Dec 2007 | Online Presentations | Contributor(s): Eric J. Heller
The images generated by a scanning tunneling microscope are iconic. Some of the most famous are Don Eigler’s quantum corrals, which reveal not only the guest atoms on a surface but especially...