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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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Nano-Scale Device Simulations Using PROPHET
Series | 20 Jan 2006 | Contributor(s):: Yang Liu, Robert Dutton
These two lectures are aimed to give a practical guide to the use of a general device simulator (PROPHET) available on nanoHUB. PROPHET is a partial differential equation (PDE) solver that offers users the flexibility of integrating new models and equations for their nano-device simulations. The...
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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...
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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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Bandstructure in Nanoelectronics
Online Presentations | 01 Nov 2005 | 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 to be included in the device modeling. Atomistic bandstructure effects in resonant tunneling...
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Modeling and Simulation of Sub-Micron Thermal Transport
Online Presentations | 26 Sep 2005 | Contributor(s):: Jayathi Murthy
In recent years, there has been increasing interest in understanding thermal phenomena at the sub-micron scale. Applications include the thermal performance of microelectronic devices, thermo-electric energy conversion, ultra-fast laser machining and many others. It is now accepted that Fourier's...
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Parallel Computing for Realistic Nanoelectronic Simulations
Online Presentations | 12 Sep 2005 | 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 the involved physics and the need to model realistically extended devices increases the complexity...
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Quantum Dots
Online Presentations | 21 Jul 2005 | 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 is around 100 times larger than the pure atomic scale. Quantum dots offer application...
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2004 Computational Materials Science Summer School
Workshops | 07 Jun 2004
This short course will explore a range of computational approaches relevant for nanotechnology.
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Review of Several Quantum Solvers and Applications
Online Presentations | 11 Jun 2004 | Contributor(s):: Umberto Ravaioli
Review of Several Quantum Solvers and Applications
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Computational Methods for NEMS
Online Presentations | 16 Jun 2004 | Contributor(s):: Narayan Aluru
Computational Methods for NEMS
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Numerical Aspects of NEGF: The Recursive Green Function Algorithm
Online Presentations | 14 Jun 2004 | Contributor(s):: Gerhard Klimeck
Numerical Aspects of NEGF: The Recursive Green Function Algorithm
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Scientific Software Development
Online Presentations | 29 Jun 2005 | 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 programs? What happens when our codes must interact with existing tools? In recent years, higher-level...