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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.
Rappture Bootcamp 2.5: Advanced Visualization
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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 algorithms …
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.
25 May 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
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.
Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing
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 the …
SPMW A fresh look to amplitude-modulation AFM: Force minimization, interaction measurement, and the quest for high resolution
05 Jan 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 reports …
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 …
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 well, …
Molecular Workbench: An Interface to the Molecular World
25 Jun 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 engines …
NEMO 3D: Intel optimizations and Multiple Quantum Dot Simulations
03 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
11 Jun 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 reactions are …
First Principles-Based Modeling of materials: Towards Computational Materials Design
20 Apr 2006 | Online Presentations | Contributor(s): Alejandro Strachan
Molecular dynamics (MD) simulations with accurate, first principles-based interatomic potentials is a powerful tool to uncover and characterize the molecular-level mechanisms that govern the …
EDA Challenges in Nanoscale Design: A Synopsys Perspective
11 Apr 2006 | Online Presentations | Contributor(s): Rich Goldman
Rich Goldman gives an overview of the current state of the semiconductor and EDA (Electronic Design Automation) industry with a special focus on the impact of nanometer scale design on design tools …
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