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\documentclass[dvips,noindentfirst]{ndthesis} |
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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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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 simulation package capable of |
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high performance parallel computer processing. Working with |
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colleagues, I developed {\sc oopse} to the point that it was capable |
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of simulating my phospholipid bilayer model. The model is a mesoscale |
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parameterization of phospholipids in order to simulate large sytems |
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for long trajectories within a reasonable time frame. Using {\sc |
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oopse}, I have simulated the gel to fluid phase transition for the |
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mesoscale model. |
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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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\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, and Yang Zheng for all of the help and comments |
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performing this research and while writing this dissertation. |
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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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|
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\end{acknowledge} |
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