This thesis presents a study of applications and techniques for molecular dynamics simulations. Three studies are presented that are intended to improve our ability to simulate larger systems more realistically. A comparison study of two- and three-body potential models for liquid and amorphous Si0��� is presented. The structural, vibrational, and dynamic properties of the substance are compared using two- and three-body potential energy models against experimental results. The three-body interaction does poorly at reproducing the experimental phonon density of states, but better at reproducing the Si-O-Si bond angle distribution. The three-body interaction also produces much higher diffusivities than the two-body interactions. A study of tabulated functions in molecular dynamics is presented. Results show that the use of tabulated functions as a method for accelerating the force and potential energy calculation can be advantageous for interactions above a certain complexity level. The decrease in precision due to the use of tabulated functions is negligible when the tables are sufficiently large. Finally, an investigation into the benefits of multi-threaded programming for molecular dynamics is presented. / Graduation date: 1999

Thesis (Ph. D.)--University of Texas at Dallas, 2006. / Includes vita. Includes bibliographical references (leaves 231-251).

Thesis (D. Phil.(Computer Science))--University of Pretoria, 2008. / Includes bibliographical references (leaves 166-183).

Thesis (Ph.D.) -- University of Texas at Arlington, 2009.

Thesis (M.S.)--Mississippi State University. Department of Electrical and Computer Engineering. / Title from title screen. Includes bibliographical references.

Thesis (M.S.)--Rutgers University, 2007. / "Graduate Program in Electrical and Computer Engineering." Includes bibliographical references (p. 68-71).

Thesis (Ph.D) - Swinburne University of Technology, Faculty of Information & Communication Technologies, Centre for Information Technology Research, 2007. / A thesis to CITR - Centre for Information Technology Research, Faculty of Information and Communication Technologies, Swinburne University of Technology, for the degree of Doctor of Philosophy, 2007. Typescript. Bibliography p. 145-160.

Thesis (M.C.S.) - Carleton University, 2006. / Includes bibliographical references (p. 173-182). Also available in electronic format on the Internet.

Thesis (M.S.)--Brigham Young University. Dept. of Computer Science, 2008. / Includes bibliographical references (p. 29-30).

Thesis (M.S.)--West Virginia University, 2006. / Title from document title page. Document formatted into pages; contains viii, 45 p. : ill. (some col.). Includes abstract. Includes bibliographical references (p. 40-41).