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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.
Add Rappture to Your Software Development
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01 Nov 2005 | Learning Modules | Contributor(s): Michael McLennan
Rappture is the Rapid APPlication infrastrucTURE, a toolkit that you can use to accelerate the development of scientific simulation tools. Scientists developing a code are often led astray by all of …
Bandstructure in Nanoelectronics
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 needs …
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
30 Jul 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 …
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 …
Electron and Ion Microscopies as Characterization Tools for Nanoscience and Nanotechnology
27 Feb 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 the …
Embedding science and technology education into students' lifestyles and technology choices
06 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 emergence of …
Embedding visualization software into a tool in Rappture
Closed | Responses: 0
Hello everyone, 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 through that …
Engineering Nanomedical Systems
06 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 (PMNP) …
Enhancing Web-Based Three-Dimensional Visualization of Scientific Data
21 Apr 2004 | Notes | Contributor(s): Kwame Osei-Wusu
2003 SURI Conference Proceedings
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 …
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 …
First Principles-based Atomistic and Mesoscale Modeling of Materials
01 Dec 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 (MD) …
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
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 …
How Can Your Educational Modules Contain Interactive Online Simulation?
28 Feb 2005 | Online Presentations | Contributor(s): Gerhard Klimeck
The Network for Computational Nanotechnology (NCN) is a multi-university, NSF-funded initiative with a mission to lead in research, education, and outreach to students and professionals, while at …
HPC and Visualization for multimillion atom simulations
21 Jun 2005 | Online Presentations | Contributor(s): Gerhard Klimeck
This presentation gives an overview of the HPC and visulaization efforts involving multi-million atom simulations for the June 2005 NSF site visit to the Network for Computational Nanotechnology.
nanoHUB.org, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies.