Theses at the Materials and Process Simulation Center

The MSC Dissertation Depository (DD) was started on September of 1994. The DD was created as an efficient means to communicate major developments by graduate students engaged in materials and process simulations at the MSC center. It is the intent of the DD to provide access to ALL dissertations for graduate students who complete their work at the MSC. However, it is the free choice of graduate students to provide their dissertations in a format compatible with the Dissertation Depository.

Other advantages of an on-line record of dissertations include:

If you would like to provide your dissertation in a format suitable for inclusion in the DD please contact the MSC web maintainers at

Zamanakos, Georgios, "A Fast and Accurate Analytical Method for the Computation of Solvent Effects inMolecular Simulations," Dec, 2002

Carlson, Matt J., "BUFF: A Biological Universal Forcefield Derived from Quantum Mechanics," May, 2000

Lu, Daqi, "Theoretical Studies of the Nonlinear Optical Properties of Organic Materials," November, 1999

Gao, Guanghua, "Large Scale Molecular Simulations with Application to Polymers and Nano-scale Materials," March, 1998

Iotov, Mihail S., "Diffusion in amorphous media," 1998

Gerdy, James J., "Accurate Interatomic Potentials for Simulations," December, 1995 (0.9 GB Postscript file)

Bierwagen, Erik P., "Computational Studies of Ziegler-Natta Catalysis and Concurrent Resonance Computations," May 26, 1995

Lim, K-T., "Mega-Molecular Dynamics on Highly Parallel Computers: Methods and Applications," April 27, 1995

Muller, Richard P., "Development and Implementation of Ab Initio Quantum Chemistry Techniques for Application to Large Molecules," May, 1994. (0.6 GB PDF file)

Mathiowetz, Alan M., "Dynamic and Stochastic Protein Simulations: From Peptides to Viruses," October 30, 1992