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Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing
13 Feb 2008 | | Contributor(s):: Jeffrey C Grossman, Elif Ertekin
In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and non-derivative methods are discussed, as well as the importance of the starting guess and how to find or generate good initial structures. We also briefly...
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Computational Nanoscience, Lecture 7: Monte Carlo Simulation Part I
15 Feb 2008 | | Contributor(s):: Jeffrey C Grossman, Elif Ertekin
The purpose of this lecture is to introduce Monte Carlo methods as a form of stochastic simulation. Some introductory examples of Monte Carlo methods are given, and a basic introduction to relevant concepts in statistical mechanics is presented. Students will be introduced to the Metropolis...
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Computational Nanoscience, Lecture 8: Monte Carlo Simulation Part II
14 Feb 2008 | | Contributor(s):: Elif Ertekin, Jeffrey C Grossman
In this lecture, we continue our discussion of Monte Carlo simulation. Examples from Hard Sphere Monte Carlo simulations based on the Metropolis algorithm and from Grand Canonical Monte Carlo simulations of fullerene growth on spherical surfaces are presented. A discussion of meaningful...
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Computational Nanoscience, Lecture 9: Hard-Sphere Monte Carlo In-Class Simulation
19 Feb 2008 | | Contributor(s):: Elif Ertekin, Jeffrey C Grossman
In this lecture we carry out simulations in-class, with guidance from the instructors. We use the HSMC tool (within the nanoHUB simulation toolkit for this course). The hard sphere system is one of the simplest systems which exhibits an order-disorder phase transition, which we will explore with...
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Consistent Parameter Set for an Ensemble Monte Carlo Simulation of 4H-SiC
01 Jul 2008 | | Contributor(s):: Dragica Vasileska
A consistent parameter set is presented for Ensemble Monte Carlo simulation that simultaneously reproduces the experimental low-field and high-field characteristic transport parameters of 4H SiC.D. Vasileska and S. M. Goodnick, Computational Electronics, Morgan and Claypool, 2006.Freescale...
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demons
31 Oct 2006 | | Contributor(s):: M. E. Klausmeier-Brown, C. M. Maziar, Paul Dodd, M. A. Stettler, Xufeng Wang, Gerhard Klimeck
Improved program consists of DEMON and SDEMON
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Device Physics Studies of III-V and Silicon MOSFETS for Digital Logic
25 Jun 2013 | | Contributor(s):: Himadri Pal
III-V's are currently gaining a lot of attraction as possible MOSFET channel materials due to their high intrinsic mobility. Several challenges, however, need to be overcome before III-V's can replace silicon (Si) in extremely scaled devices. The effect of low density-of-states of III-V materials...
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Discussion about Ion Channels Using Reduced Model Approaches
20 Sep 2011 | | Contributor(s):: James Fonseca
The seminar will cover the reasons how the channels are able to selectively permit the flow of certain species of ions while blocking other physiological cations.
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ECE 656 Lecture 30: Balance Equation Approach III
24 Nov 2009 | | Contributor(s):: Mark Lundstrom
OutlineCarrier Temperature and Heat FluxBalance equations in 3DHeterostructuresSummary
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ECE 656 Lecture 31: Monte Carlo Simulation
24 Nov 2009 | | Contributor(s):: Mark Lundstrom
Outline:IntroductionReview of carrier scatteringSimulating carrier trajectoriesFree flightCollisionUpdate after collisionPutting it all togetherSummary
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ECE 656 Lecture 32: Balance Equation Approach III
20 Dec 2011 | | Contributor(s):: Mark Lundstrom
Outline:Review of L31Carrier temperature and heat fluxHeterostructuresSummary
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ECE 656 Lecture 34a: Monte Carlo Simulation I
20 Dec 2011 | | Contributor(s):: Mark Lundstrom
OutlineIntroductionReview of carrier scatteringSimulating carrier trajectoriesFree flightCollisionUpdate after collisionPutting it all togetherSummary
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ECE 656 Lecture 34b: Monte Carlo Simulation II
20 Dec 2011 | | Contributor(s):: Mark Lundstrom
OutlineIntroductionReview of carrier scatteringSimulating carrier trajectoriesFree flightCollisionUpdate after collisionPutting it all togetherSummary
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ECE 656 Lecture 41: Transport in a Nutshell
20 Dec 2011 | | Contributor(s):: Mark Lundstrom
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ECE 695A Lecture 14a: Voltage Dependent HCI I
18 Feb 2013 | | Contributor(s):: Muhammad Alam
Outline:Background and Empirical ObservationsTheory of Hot Carriers: Hydrodynamic ModelTheory of Hot Carriers: Monte Carlo ModelTheory of Hot Carriers: Universal ScalingConclusionAppendices
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ECE 695A Lecture 14b: Voltage Dependent HCI II
18 Feb 2013 | | Contributor(s):: Muhammad Alam
Outline:Background and Empirical ObservationsTheory of Hot Carriers: Hydrodynamic ModelTheory of Hot Carriers: Monte Carlo ModelTheory of Hot Carriers: Universal ScalingConclusionAppendices
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Exciton Dynamics Simulator
31 Dec 2012 | | Contributor(s):: Michael Heiber
Simulates the exciton dynamics in organic photovolatic devices
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From Semi-Classical to Quantum Transport Modeling: Particle-Based Device Simulations
09 Aug 2009 | | Contributor(s):: Dragica Vasileska
This set of powerpoint slides series provides insight on what are the tools available for modeling devices that behave either classically or quantum-mechanically. An in-depth description is provided to the approaches with emphasis on the advantages and disadvantages of each approach. Conclusions...
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Gas Adsorption Calculator
07 Mar 2019 | | Contributor(s):: Julian C Umeh, Thomas A Manz
Simulates gas adsorption onto metal organic frameworks
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Generalized Monte Carlo Presentation
17 Jun 2011 | | Contributor(s):: Dragica Vasileska
This presentation goes along with the Bulk Monte Carlo tool on the nanoHUB that calculates transients and steady-state velocity-field characteristics of arbitrary materials such as Si, Ge, GaAs, GaN, SiC, etc. The tool employs a non-parabolic bandstructure.