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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.
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...
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...
Add Rappture to Your Software Development - Learning Module
4.5 out of 5 stars
01 Nov 2005 | Series | Contributor(s): Michael McLennan
This series is a set of presentations formerly known as a "Learning Module." The presentations are meant to be viewed in sequence to get a full understanding of the topic. Please click on the...
Bandstructure in Nanoelectronics
5.0 out of 5 stars
01 Nov 2005 | Online Presentations | Contributor(s): Gerhard Klimeck
This presentation will highlight, for nanoelectronic device examples, how the effective mass approximation breaks down and why the quantum mechanical nature of the atomically resolved material...
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...
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...
EDA Challenges in Nanoscale Design: A Synopsys Perspective
0.0 out of 5 stars
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...
Electron and Ion Microscopies as Characterization Tools for Nanoscience and Nanotechnology
4.0 out of 5 stars
17 Mar 2006 | Online Presentations | Contributor(s): Eric Stach
This tutorial presents a broad overview of the basic physical principles of techniques used in scanning electron microscopy (SEM), as well as their application to understanding...
Electron Density in a Nanowire
30 Jan 2011 | Animations | Contributor(s): Gerhard Klimeck, Saumitra Raj Mehrotra
Electron Density in a circular Silicon nanowire transistor.
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...
Embedding science and technology education into students' lifestyles and technology choices
28 Dec 2005 | Online Presentations | Contributor(s): Krishna Madhavan
Learning experiences of the future will be multi-sensory, engage technologies and significant
computational power continuously and invisibly, and will be completely engaging. The
Engineering Nanomedical Systems
14 Mar 2006 | Online Presentations | Contributor(s): James Leary
This tutorial discusses general problems and approaches to the design of engineered nanomedical systems. One example given is the engineering design of programmable multilayered nanoparticles...
Enhancing Web-Based Three-Dimensional Visualization of Scientific Data
21 Apr 2004 | Presentation Materials | Contributor(s): Kwame Osei-Wusu
2003 SURI Conference Proceedings
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
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...
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...
First Principles-based Atomistic and Mesoscale Modeling of Materials
16 Nov 2005 | Online Presentations | Contributor(s): Alejandro Strachan
This tutorial will describe some of the most powerful and widely used techniques for materials modeling including i) first principles quantum mechanics (QM), ii) large-scale molecular dynamics...
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...
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...