Statistical Mechanics of Dynamics and Structure in Liquids

David Chandler教授得到了理论与计算化学计划的资助，继续他在液体动力学和结构的统计力学处理方面的研究。这项研究将有助于我们在分子水平上对液体结构的物理认识，并为溶液中的化学反应提供基本的分子水平描述。钱德勒的主要研究方向是液体中的化学动力学和量子过程。具体来说，他计划开发对液体系统进行时间相关量子蒙特卡罗计算的技术的扩展和应用。他还计划为液体中的电子状态和液体中的金属绝缘体转变开发新的处理方法。钱德勒研究小组开发的参考相互作用位点模型（RISM）将扩展到溶剂化动力学的处理，并将开发一种新的动态功能积分方法来处理玻璃化和玻璃化转变。

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.