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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.
VolQD: Graphics Hardware Accelerated Interactive Visual Analytics of Multi-million Atom Nanoelectronics Simulations
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13 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 data …
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) …
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 …
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 for …
21 Jul 2005 | Online Presentations | Contributor(s): Gerhard Klimeck
Quantum Dots are man-made artificial atoms that confine electrons to a small space. As such, they have atomic-like behavior and enable the study of quantum mechanical effects on a length scale that …
Parallel Computing for Realistic Nanoelectronic Simulations
12 Sep 2005 | Online Presentations | Contributor(s): Gerhard Klimeck
Typical modeling and simulation efforts directed towards the understanding of electron transport at the nanometer scale utilize single workstations as computational engines. Growing understanding of …
Numerical Aspects of NEGF: The Recursive Green Function Algorithm
14 Jun 2004 | Online Presentations | Contributor(s): Gerhard Klimeck
Scientific Software Development
29 Jun 2005 | Online Presentations | Contributor(s): Clemens Heitzinger
The development of efficient scientific simulation codes poses a wide range of problems. How can we reduce the time spent in developing and debugging codes while still arriving at efficient …
NCN Cyberinfrastructure Overview
21 Jun 2005 | Online Presentations | Contributor(s): Gerhard Klimeck
Presentation of the NCN cyberinfrastructure to the June 2005 NSF review team. The nanoHUB development over 12 months will be presented in a broad overview.
HPC and Visualization for multimillion atom simulations
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.
NEMO 1-D: The First NEGF-based TCAD Tool and Network for Computational Nanotechnology
28 Dec 2004 | Online Presentations | Contributor(s): Gerhard Klimeck
Nanotechnology has received a lot of public attention since U.S. President Clinton announced the U.S. National Nanotechnology Initiative. New approaches to applications in electronics, materials, …
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