1 |
\documentclass[dvips,noindentfirst]{ndthesis} |
2 |
\usepackage{graphicx} |
3 |
\usepackage{psfrag} |
4 |
\usepackage{amsmath} |
5 |
\usepackage{amssymb} |
6 |
\usepackage{color} |
7 |
\usepackage{listings} |
8 |
|
9 |
\includeonly{preview} |
10 |
|
11 |
\begin{document} |
12 |
\renewcommand{\lstlistlistingname}{SCHEMES} |
13 |
\renewcommand{\lstlistingname}{Scheme} |
14 |
\frontmatter |
15 |
\work{Dissertation} % Change to ``Thesis'' for Master's thesis |
16 |
\title{STATISTICAL MECHANICS SIMULATIONS OF SURFACE COVERAGE AND PHOSPHOLIPID BILAYERS} |
17 |
\author{Matthew A. Meineke} |
18 |
\degprior{B.Sc.} % All previously earned degrees |
19 |
\degaward{Doctor of Philosophy} % What this paper is for |
20 |
\advisor{J. Daniel Gezelter} % supervisor/director/advisor |
21 |
%% \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 |
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 |
|
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 |
\lstlistoflistings |
54 |
|
55 |
\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 |