Molecular Simulation

Our reseach focuses on the ubiquitous yet poorly understood phenomenon of self-organization in condensed matter, exemplified by order-disorder phase transitions such as crystallization, the self-assembly of biological membranes, the occurrence of liquid crystal phases in several families of organic materials, and the formation of self-assembled monolayers on solid substrates. The group carries out computational and theoretical work aimed at improving fundamental understanding of the relationship between molecular structure and macroscopic properties of soft condensed matter.

Most of our group's current research deals with the physics of liquid crystals, phases of matter having order intermediate between that of liquids and crystalline solids. This work involves the application of computer simulation and mean-field theory to the study of liquid crystal phase transitions and to investigations of the microscopic structure and dynamics of liquid crystals, both to aid in the interpretation of experimental measurements and to catalyze the process of model building. A related objective of this research is the development of computational tools for the design of novel liquid crystalline materials. A significant recent achievement is the discovery of an efficient method for calculating materials properties of ferroelectric liquid crystals, which makes the prospect of computer-aided design of new ferroelectric materials a reality.

Research Lines

Smectic Templating of Polymer Networks

Selected Publications

"Computer-Aided Design of Ferroelectric Liquid Crystals", M.A.Glaser, V.V.Ginzburg, N.A. Clark, E.Garcia, D.M.Walba and R.Malzbender, Mol. Phys. Rep., 10, 26-47, 1995.

"Atomic-Detail Simultation Studies of Tilted Smectics", M.A.Glaser,
R. Malzbender, N.A.Clark, and D.M.Walba, J. Phys.: Condens. Matter, 6, A261-A268, 1994.

"Melting and Liquid Structure in Two Dimensions", M.A.Glaser and
N.A. Clark, Adv. Chem. Phys., Volume LXXXIII, I. Prigogine and S.A. Rice, editors, John Wiley & Sons, New York, 543-709, 1993.

"Statistical Geometry of Simple Liquids in Two Dimensions", M.A.Glaser and N.A.Clark, Phys. Rev. A, 41, 4585-4588, 1990.

 

For more information on this project, contact Matt Glaser.

 

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