| 1 |
mmeineke |
1021 |
\documentclass[dvips,noindentfirst]{ndthesis} |
| 2 |
|
|
\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 |
|
|
Xiuquan Sun, and Yang Zheng for all of the help and comments |
| 61 |
|
|
performing this research and while writing this dissertation. |
| 62 |
|
|
|
| 63 |
|
|
\end{acknowledge} |
| 64 |
|
|
|
| 65 |
|
|
\mainmatter |