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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.
Molecular Workbench: An Interface to the Molecular World
5.0 out of 5 stars
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
0.0 out of 5 stars
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
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...
Tutorial on Using Micelle-MD
05 Apr 2006 | Online Presentations | Contributor(s): Patrick Chiu, Kunal Shah, Susan Sinnott
This is a tutorial using Micelle-MD. This includes the main
capabilities, computation procedure, with format of files
generated, and the simulation setup, which includes the material
Mechanical Properties of Surfactant Aggregates at Water-Solid Interfaces
This is a talk on the mechanical properties of surfactant
aggregates at water-solid interfaces using Micelle-MD. This
includes silica indentations of micelles with comparison to
Thermal Microsystems for On-Chip Thermal Engineering
04 Apr 2006 | Online Presentations | Contributor(s): Suresh V. Garimella
Electro-thermal co-design at the micro- and nano-scales is critical for
achieving desired performance and reliability in microelectronic circuits.
Emerging thermal microsystems technologies...
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...
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...
The nanoHUB Science Gateway
12 Mar 2006 | Online Presentations | Contributor(s): Sebastien Goasguen
The TeraGrid Science Gateways program was initiated to expand the influence of TeraGrid resources through back-end integration into community developed portals and desktop applications. Nancy...
Launch of a Nanoscale Informal Science Education Network
1.0 out of 5 stars
21 Feb 2006 | Online Presentations | Contributor(s): larry bell
The Museum of Science, Boston, in partnership with the Science Museum of Minnesota
and the Exploratorium in San Francisco, has been selected by the National Science
Foundation (NSF) to form...
How Can Your Educational Modules Contain Interactive Online Simulation?
3.0 out of 5 stars
28 Dec 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,
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
VolQD: Graphics Hardware Accelerated Interactive Visual Analytics of Multi-million Atom Nanoelectronics Simulations
21 Dec 2005 | Online Presentations | Contributor(s): Wei Qiao
In this work we present a hardware-accelerated direct volume rendering
system for visualizing multivariate wave functions in semiconducting
quantum dot (QD) simulations. The simulation...
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...
Quantum Dot Lab
12 Nov 2005 | Tools | Contributor(s): Prasad Sarangapani, James Fonseca, Daniel F Mejia, James Charles, Woody Gilbertson, Tarek Ahmed Ameen, Hesameddin Ilatikhameneh, Andrew Roché, Lars Bjaalie, Sebastian Steiger, David Ebert, Matteo Mannino, Hong-Hyun Park, Tillmann Christoph Kubis, Michael Povolotskyi, Michael McLennan, Gerhard Klimeck
Compute the eigenstates of a particle in a box of various shapes including domes, pyramids and multilayer structures.
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...
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...
Nanoparticle Synthesis and Assembly for Biological Sensing
25 Oct 2005 | Online Presentations | Contributor(s): Gil Lee
Nanoparticles have unique physical and chemical properties that make them very useful for
biological and chemical sensing. For example, colloidal gold has been used as an optical transducer...