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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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Surprises on the nanoscale: Plasmonic waves that travel backward and spin birefringence without magnetic fields
Online Presentations | 08 Jan 2007 | Contributor(s):: Daniel Neuhauser
As nanonphotonics and nanoelectronics are pushed down towards the molecular scale, interesting effects emerge. We discuss how birefringence (different propagation of two polarizations) is manifested and could be useful in the future for two systems: coherent plasmonic transport of near-field...
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Understanding Phonon Dynamics via 1D Atomic Chains
Online Presentations | 04 Apr 2006 | Contributor(s):: Timothy S Fisher
Phonons are the principal carriers of thermal energy in semiconductors and insulators, and they serve a vital role in dissipating heat produced by scattered electrons in semiconductor devices. Despite the importance of phonons, rigorous understanding and inclusion of phonon dynamics in...
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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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Autonomic Adaptation of Virtual Distributed Environments in a Multi-Domain Infrastructure
Online Presentations | 11 Jul 2006 | Contributor(s):: Ryan Riley, Dongyan Xu
By federating resources from multiple domains, a shared infrastructure provides aggregated computation resources to a large number of users. With rapid advances in virtualization technologies, we propose the concept of virtual distributed environments as a new sharing paradigm for a multi-domain...
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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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Vector Free Energy Calculation with Adaptive Biasing Force
Online Presentations | 18 Jun 2006 | Contributor(s):: Eric F Darve
This presentation discusses recent numerical methods to calculate thefree energy as a function of a reaction coordinate for bio-molecules.Free energy is often called potential of mean force and represents theeffective potential experienced by a generalized coordinate for abio-molecular system....
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Numerical Analysis
Online Presentations | 02 Jun 2006 | Contributor(s):: Dragica Vasileska
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Molecular Dynamics Simulations with the Second-Generation Reactive Empirical Bond Order (REBO) Potential
Online Presentations | 02 Apr 2006 | Contributor(s):: Wen-Dung Hsu, Susan Sinnott
In this presentation, the molecular dynamics (MD) simulation will be introduced first. The applications of MD simulation, the procedure of MD simulation and some speed-up methods in MD simulation will be talked. Then the bond order potentials which are capable to predict bond breaking and new...
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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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The Long and Short of Pick-up Stick Transistors: A Promising Technology for Nano- and Macro-Electronics
Online Presentations | 11 Apr 2006 | Contributor(s):: Muhammad A. Alam
In recent years, there has been enormous interest in the emerging field of large-area macro-electronics, and fabricating thin-film transistors on flexible substrates. This talk will cover recent work in developing a comprehensive theoretical framework to describe the performance of these "pick-up...
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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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Molecular Transport Structures: Elastic Scattering, Vibronic Effects and Beyond
Online Presentations | 13 Feb 2006 | Contributor(s):: Mark Ratner, Abraham Nitzan, Misha Galperin
Current experimental efforts are clarifying quite beautifully the nature of charge transport in so-called molecular junctions, in which a single molecule provides the channel for current flow between two electrodes. The theoretical modeling of such structures is challenging, because of the...
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A Primer on Semiconductor Device Simulation
Online Presentations | 23 Jan 2006 | Contributor(s):: Mark Lundstrom
Computer simulation is now an essential tool for the research and development of semiconductor processes and devices, but to use a simulation tool intelligently, one must know what's "under the hood." This talk is a tutorial introduction designed for someone using semiconductor...
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Nano-Scale Device Simulations Using PROPHET-Part II: PDE Systems
Online Presentations | 20 Jan 2006 | Contributor(s):: Yang Liu, Robert Dutton
Part II uses examples toillustrate how to build user-defined PDE systems in PROPHET.
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Nano-Scale Device Simulations Using PROPHET-Part I: Basics
Online Presentations | 20 Jan 2006 | Contributor(s):: Yang Liu, Robert Dutton
Part I covers the basics of PROPHET,including the set-up of simulation structures and parameters based onpre-defined PDE systems.
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Hierarchical Physical Models for Analysis of Electrostatic Nanoelectromechanical Systems (NEMS)
Online Presentations | 05 Jan 2006 | Contributor(s):: Narayan Aluru
This talk will introduce hierarchical physical models and efficient computational techniques for coupled analysis of electrical, mechanical and van der Waals energy domains encountered in Nanoelectromechanical Systems (NEMS). Numerical results will be presented for several silicon...
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Quantum Corrections for Monte Carlo Simulation
Online Presentations | 05 Jan 2006 | Contributor(s):: Umberto Ravaioli
Size quantization is an important effect in modern scaled devices. Due to the cost and limitations of available full quantum approaches, it is appealing to extend semi-classical simulators by adding corrections for size quantization. Monte Carlo particle simulators are good candidates, because a...