Statistical Mechanics of Dynamics and Structure in Liquids

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Professor David Chandler is supported by a grant from The Theoretical and Computational Chemistry Program to continue his research on the statistical mechanical treatment of dynamics and structure in liquids. This research will contribute significantly to our physical understanding of liquid structure at the molecular level, and provide a fundamental molecular level description of chemical reactions in solution. The main thrust of Chandler's research is in the area of chemical dynamics and quantum processes in liquids. Specifically, he plans to develop extensions and applications of techniques for performing time dependent quantum Monte Carlo calculations on liquid systems. He also plans to develop new treatments for electronic states in liquids and for metal insulator transitions in liquids. The reference interaction site model (RISM) developed in Chandler's research group will be extended to the treatment of solvation dynamics, and a new dynamical functional integral approach for treating vitrification and glass transition will also be developed.