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From Research to Learning in Chemistry through Visualization and Computation
Online Presentations | 17 May 2007 | 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 table instead of the computational methods that drive current chemistry research. In this talk,...
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Is Seeing Believing? How to Think Visually and Analyze with Both Your Eyes and Brain
Online Presentations | 26 Mar 2007 | 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.
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What Can the TEM Tell You About Your Nanomaterial?
Online Presentations | 26 Feb 2007 | 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, as well where difficulties arise. In particular, I will discuss in an overview manner how...
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Molecular Workbench: An Interface to the Molecular World
Downloads | 25 Jun 2006 | 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 that compute and visualize the motion of particles interacting through force fields, in both 2D and...
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NEMO 3D: Intel optimizations and Multiple Quantum Dot Simulations
Online Presentations | 03 Aug 2006 | 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, simulating their electronic structure, can take up to several days. In order to simulate and analyze...
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Exploring Electron Transfer with Density Functional Theory
Online Presentations | 11 Jun 2006 | Contributor(s):: Troy Van Voorhis
This talk will highlight several illustrative applications of constrained density functionaltheory (DFT) to electron transfer dynamics in electronic materials. The kinetics of thesereactions are commonly expressed in terms of well known Marcus parameters (drivingforce, reorganization energy and...
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First Principles-Based Modeling of materials: Towards Computational Materials Design
Online Presentations | 20 Apr 2006 | 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 chemical, mechanical and optical properties of materials. Such fundamental understanding is critical to...
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EDA Challenges in Nanoscale Design: A Synopsys Perspective
Online Presentations | 11 Apr 2006 | Contributor(s):: Rich Goldman
Rich Goldman gives an overview of the current state ofthe semiconductor and EDA (Electronic Design Automation) industry with aspecial focus on the impact of nanometer scale design on design tools andthe economics of the industry.
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Tutorial on Using Micelle-MD
Online Presentations | 05 Apr 2006 | 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 models implemented.
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Mechanical Properties of Surfactant Aggregates at Water-Solid Interfaces
Online Presentations | 05 Apr 2006 | Contributor(s):: Patrick Chiu, Kunal Shah, Susan Sinnott
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 experimental data and graphite indentation of Micelle.
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Thermal Microsystems for On-Chip Thermal Engineering
Online Presentations | 04 Apr 2006 | 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 for this application area are discussed, with specific examples including a novel micromechanical...
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Electron and Ion Microscopies as Characterization Tools for Nanoscience and Nanotechnology
Online Presentations | 27 Feb 2006 | 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 processing/structure/property relationships in nanostructured materials. Special emphasis is placed on the capabilities...
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Engineering Nanomedical Systems
Online Presentations | 06 Mar 2006 | 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) to control a multi-sequence process of targeting to rare cells in-vivo, re-targeting to...
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The nanoHUB Science Gateway
Online Presentations | 07 Mar 2006 | 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 Wilkins-Diehr, SDSC, TeraGrid Area Director for Science Gateways will give a brief overview of the...
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Launch of a Nanoscale Informal Science Education Network
Online Presentations | 21 Feb 2006 | 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 and lead a national Nanoscale Informal Science Education Network (NISE Network) comprised of multiple...
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How Can Your Educational Modules Contain Interactive Online Simulation?
Online Presentations | 28 Feb 2005 | 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 the same time deploying a unique web-based cyber-infrastructure to serve the nation''s National...
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Embedding science and technology education into students' lifestyles and technology choices
Online Presentations | 06 Dec 2005 | 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 highly cross-disciplinary fields like nanoscale science and technology, bioinformatics, and...
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VolQD: Graphics Hardware Accelerated Interactive Visual Analytics of Multi-million Atom Nanoelectronics Simulations
Online Presentations | 13 Dec 2005 | Contributor(s):: Wei Qiao
In this work we present a hardware-accelerated direct volume renderingsystem for visualizing multivariate wave functions in semiconductingquantum dot (QD) simulations. The simulation datacontains the probability density values of multiple electron orbitalsfor up to tens of millions of...
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First Principles-based Atomistic and Mesoscale Modeling of Materials
Online Presentations | 01 Dec 2005 | 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) simulations and iii) mesoscale modeling, together with the strategies to bridge between them. These...
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Quantum Dot Lab
Tools | 12 Nov 2005 | 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.