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Computational Nanoscience, Lecture 7: Monte Carlo Simulation Part I
Teaching Materials | 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
Teaching Materials | 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 4: Geometry Optimization and Seeing What You're Doing
Teaching Materials | 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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Homework for Monte Carlo Method: High field transport in Bulk Si
Teaching Materials | 06 Jan 2006 | Contributor(s):: Muhammad A. Alam
This homework assignment is part of ECE 656 "Electronic Transport in Semiconductors" (Purdue University). It contains 10 problems which lead students through the simulation of high-field transport in bulk silicon.