--- trunk/mattDisertation/phdPreamble.tex 2004/02/04 20:23:20 1021 +++ trunk/mattDisertation/phdPreamble.tex 2004/03/07 04:01:29 1088 @@ -2,18 +2,22 @@ \usepackage{graphicx} \usepackage{psfrag} \usepackage{amsmath} +\usepackage{amssymb} \usepackage{color} +\usepackage{listings} \includeonly{preview} \begin{document} +\renewcommand{\lstlistlistingname}{SCHEMES} +\renewcommand{\lstlistingname}{Scheme} \frontmatter \work{Dissertation} % Change to ``Thesis'' for Master's thesis -\title{STATISTICAL MECHANICAL SIMULATIONS OF PHOSPHOLIPID BILAYERS, SILICON PHTHALOCYANINES, AND THE DEVELOPMENT OF THE SIMULATION PACKAGE OOPSE} +\title{STATISTICAL MECHANICS SIMULATIONS OF SURFACE COVERAGE AND PHOSPHOLIPID BILAYERS} \author{Matthew A. Meineke} \degprior{B.Sc.} % All previously earned degrees \degaward{Doctor of Philosophy} % What this paper is for -\advisor{Dr. J. Daniel Gezelter} % supervisor/director/advisor +\advisor{J. Daniel Gezelter} % supervisor/director/advisor %% \advisorB{} % second supervisor/director/advisor (if present) \department{Chemistry and Biochemistry} % Dept. granting the degree \maketitle % Uncomment to get the title page printed out @@ -25,14 +29,15 @@ gold (111) surface. {\sc oopse} is a simulation packag molecular dynamics simulation package {\sc oopse}. The first investigation was using a random sequential adsorption model to elucidate the adsorption of two related silicon phthalocyanines on a -gold (111) surface. {\sc oopse} is a simulation package capable of -high performance parallel computer processing. Working with -colleagues, I developed {\sc oopse} to the point that it was capable -of simulating my phospholipid bilayer model. The model is a mesoscale -parameterization of phospholipids in order to simulate large sytems -for long trajectories within a reasonable time frame. Using {\sc -oopse}, I have simulated the gel to fluid phase transition for the -mesoscale model. +gold (111) surface. {\sc oopse} is a molecular simulation package +capable of carrying out high performance parallel molecular dynamics +trajectories. Working with colleagues, I developed {\sc oopse} to the +point that it was capable of simulating my phospholipid bilayer +model. The model is a mesoscale parameterization of phospholipids in +order to simulate large sytems for long times within a reasonable +amount of computational time. Using {\sc oopse}, I have simulated a +bilayer over a range of temperatures, and have observed bilayer +self-assembly on the 20~ns time scale. \end{abstract} @@ -45,13 +50,17 @@ and supported me throughout all of this work. \tableofcontents \listoffigures % If you don't have any figures or tables, comment \listoftables % out these two lines. +\lstlistoflistings + \begin{acknowledge} % acknowledgments go here \noindent I am grateful to my advisor, Dr. Gezelter for all of his patience and guidance. I am also grateful to my coworkers Charles F.~Vardeman II, Teng Lin, Christopher J.~Fennell, - Xiuquan Sun, and Yang Zheng for all of the help and comments - performing this research and while writing this dissertation. + Xiuquan Sun, Yang Zheng, Jayashree Saha, Changsen Xu, Peter + DeCarlo, Dan Combest, Pat Conforti, and Megan Sprague for all + of their help and comments while performing this research and + while writing this dissertation. \end{acknowledge}