| 1 | mmeineke | 1115 | \documentclass[nosummary,dvips,noindentfirst]{ndthesis} | 
| 2 | mmeineke | 1021 | \usepackage{graphicx} | 
| 3 |  |  | \usepackage{psfrag} | 
| 4 |  |  | \usepackage{amsmath} | 
| 5 | mmeineke | 1045 | \usepackage{amssymb} | 
| 6 | mmeineke | 1021 | \usepackage{color} | 
| 7 | mmeineke | 1045 | \usepackage{listings} | 
| 8 | mmeineke | 1021 |  | 
| 9 |  |  | \includeonly{preview} | 
| 10 |  |  |  | 
| 11 |  |  | \begin{document} | 
| 12 | mmeineke | 1045 | \renewcommand{\lstlistlistingname}{SCHEMES} | 
| 13 |  |  | \renewcommand{\lstlistingname}{Scheme} | 
| 14 | mmeineke | 1021 | \frontmatter | 
| 15 |  |  | \work{Dissertation}  % Change to ``Thesis'' for Master's thesis | 
| 16 | mmeineke | 1083 | \title{STATISTICAL MECHANICS SIMULATIONS OF SURFACE COVERAGE AND PHOSPHOLIPID BILAYERS} | 
| 17 | mmeineke | 1021 | \author{Matthew A. Meineke} | 
| 18 |  |  | \degprior{B.Sc.}                 % All previously earned degrees | 
| 19 |  |  | \degaward{Doctor of Philosophy}  % What this paper is for | 
| 20 | mmeineke | 1083 | \advisor{J. Daniel Gezelter} % supervisor/director/advisor | 
| 21 | mmeineke | 1021 | %% \advisorB{}            % second supervisor/director/advisor (if present) | 
| 22 |  |  | \department{Chemistry and Biochemistry}      % Dept. granting the degree | 
| 23 |  |  | \maketitle                % Uncomment to get the title page printed out | 
| 24 |  |  | %% \copypage              % Uncomment if you want a copyright page | 
| 25 |  |  | \begin{abstract} | 
| 26 |  |  |  | 
| 27 |  |  | I present a dissertation outlining two statistical mechanics | 
| 28 |  |  | investigations I have undertaken, as well as the development of the | 
| 29 |  |  | molecular dynamics simulation package {\sc oopse}. The first | 
| 30 |  |  | investigation was using a random sequential adsorption model to | 
| 31 |  |  | elucidate the adsorption of two related silicon phthalocyanines on a | 
| 32 | mmeineke | 1087 | gold (111) surface. {\sc oopse} is a molecular simulation package | 
| 33 |  |  | capable of carrying out high performance parallel molecular dynamics | 
| 34 |  |  | trajectories. Working with colleagues, I developed {\sc oopse} to the | 
| 35 |  |  | point that it was capable of simulating my phospholipid bilayer | 
| 36 |  |  | model. The model is a mesoscale parameterization of phospholipids in | 
| 37 |  |  | order to simulate large sytems for long times within a reasonable | 
| 38 |  |  | amount of computational time. Using {\sc oopse}, I have simulated a | 
| 39 |  |  | bilayer over a range of temperatures, and have observed bilayer | 
| 40 |  |  | self-assembly on the 20~ns time scale. | 
| 41 | mmeineke | 1021 |  | 
| 42 |  |  | \end{abstract} | 
| 43 |  |  |  | 
| 44 |  |  | \begin{dedication} | 
| 45 |  |  |  | 
| 46 |  |  | I would like to dedicate this dissertation to my wife, who has helped | 
| 47 |  |  | and supported me throughout all of this work. | 
| 48 |  |  |  | 
| 49 |  |  | \end{dedication} | 
| 50 |  |  | \tableofcontents | 
| 51 |  |  | \listoffigures          % If you don't have any figures or tables, comment | 
| 52 |  |  | \listoftables        % out these two lines. | 
| 53 | mmeineke | 1045 | \lstlistoflistings | 
| 54 |  |  |  | 
| 55 | mmeineke | 1021 | \begin{acknowledge}    % acknowledgments go here | 
| 56 |  |  |  | 
| 57 |  |  | \noindent I am grateful to my advisor, Dr. Gezelter for all of | 
| 58 |  |  | his patience and guidance. I am also grateful to my coworkers | 
| 59 |  |  | Charles F.~Vardeman II, Teng Lin, Christopher J.~Fennell, | 
| 60 | mmeineke | 1088 | Xiuquan Sun, Yang Zheng, Jayashree Saha, Changsen Xu, Peter | 
| 61 |  |  | DeCarlo, Dan Combest, Pat Conforti, and Megan Sprague for all | 
| 62 |  |  | of their help and comments while performing this research and | 
| 63 |  |  | while writing this dissertation. | 
| 64 | mmeineke | 1021 |  | 
| 65 |  |  | \end{acknowledge} | 
| 66 |  |  |  | 
| 67 |  |  | \mainmatter |