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\documentclass[nosummary,dvips,noindentfirst]{ndthesis} |
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\usepackage{graphicx} |
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\usepackage{psfrag} |
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\usepackage{amsmath} |
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\usepackage{amssymb} |
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\usepackage{color} |
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\usepackage{listings} |
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\includeonly{preview} |
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\begin{document} |
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\renewcommand{\lstlistlistingname}{SCHEMES} |
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\renewcommand{\lstlistingname}{Scheme} |
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\frontmatter |
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\work{Dissertation} % Change to ``Thesis'' for Master's thesis |
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\title{STATISTICAL MECHANICS SIMULATIONS OF SURFACE COVERAGE AND PHOSPHOLIPID BILAYERS} |
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\author{Matthew A. Meineke} |
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\degprior{B.Sc.} % All previously earned degrees |
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\degaward{Doctor of Philosophy} % What this paper is for |
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\advisor{J. Daniel Gezelter} % supervisor/director/advisor |
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%% \advisorB{} % second supervisor/director/advisor (if present) |
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\department{Chemistry and Biochemistry} % Dept. granting the degree |
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\maketitle % Uncomment to get the title page printed out |
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%% \copypage % Uncomment if you want a copyright page |
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\begin{abstract} |
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I present a dissertation outlining two statistical mechanics |
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investigations I have undertaken, as well as the development of the |
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molecular dynamics simulation package {\sc oopse}. The first |
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investigation was using a random sequential adsorption model to |
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elucidate the adsorption of two related silicon phthalocyanines on a |
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gold (111) surface. {\sc oopse} is a molecular simulation package |
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capable of carrying out high performance parallel molecular dynamics |
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trajectories. Working with colleagues, I developed {\sc oopse} to the |
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point that it was capable of simulating my phospholipid bilayer |
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model. The model is a mesoscale parameterization of phospholipids in |
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order to simulate large sytems for long times within a reasonable |
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amount of computational time. Using {\sc oopse}, I have simulated a |
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bilayer over a range of temperatures, and have observed bilayer |
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self-assembly on the 20~ns time scale. |
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\end{abstract} |
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\begin{dedication} |
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I would like to dedicate this dissertation to my wife, who has helped |
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and supported me throughout all of this work. |
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\end{dedication} |
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\tableofcontents |
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\listoffigures % If you don't have any figures or tables, comment |
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\listoftables % out these two lines. |
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\lstlistoflistings |
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\begin{acknowledge} % acknowledgments go here |
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\noindent I am grateful to my advisor, Dr. Gezelter for all of |
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his patience and guidance. I am also grateful to my coworkers |
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Charles F.~Vardeman II, Teng Lin, Christopher J.~Fennell, |
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Xiuquan Sun, Yang Zheng, Jayashree Saha, Changsen Xu, Peter |
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DeCarlo, Dan Combest, Pat Conforti, and Megan Sprague for all |
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of their help and comments while performing this research and |
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while writing this dissertation. |
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\end{acknowledge} |
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\mainmatter |
