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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.
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...
[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...
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...
SPMW A fresh look to amplitude-modulation AFM: Force minimization, interaction measurement, and the quest for high resolution
03 Jul 2007 | Online Presentations | Contributor(s): Udo D. Schwarz
Frequency modulation atomic force microscopy (FM-AFM) has been able to deliver high-resolution atomic-scale images in ultrahigh vacuum for over one decade. In addition, there have been recent...
From Research to Learning in Chemistry through Visualization and Computation
21 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...
Is Seeing Believing? How to Think Visually and Analyze with Both Your Eyes and Brain
26 Mar 2007 | Online Presentations | Contributor(s): David Ebert
This presentation will cover the basic techniques, and some of the available tools, for visualization, and will explain how to avoid miscommunicating information from visualizations.
What Can the TEM Tell You About Your Nanomaterial?
26 Feb 2007 | Online Presentations | Contributor(s): Eric Stach
In this tutorial, I will present a brief overview of the ways that transmission electron microscopy can be used to characterize nanoscale materials. This tutorial will emphasize what TEM does...
Molecular Workbench: An Interface to the Molecular World
31 Aug 2006 | Downloads | Contributor(s): Charles Xie
The Molecular Workbench software is a free, open-source modeling and authoring program specifically designed for use in science education. Powered by a set of real-time molecular simulation...
NEMO 3D: Intel optimizations and Multiple Quantum Dot Simulations
14 Aug 2006 | Online Presentations | Contributor(s): Anish Dhanekula, Gerhard Klimeck
NEMO-3D is a nanoelectronic modeling tool that analyzes the electronic structure of nanoscopic devices. Nanoelectronic devices such as Quantum Dots (QDs) can contain millions of atoms,. Therefore,...
Exploring Electron Transfer with Density Functional Theory
03 Jul 2006 | Online Presentations | Contributor(s): Troy Van Voorhis
This talk will highlight several illustrative applications of constrained density functional
theory (DFT) to electron transfer dynamics in electronic materials. The kinetics of these