Statistical Mechanics of Dynamics and Structure in Liquids

液体动力学和结构的统计力学

• 批准号: 9006235
• 负责人: David Chandler
• 金额: $ 69.3万
• 依托单位: University of California-Berkeley
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1990
• 资助国家: 美国
• 起止时间: 1990-05-15 至 1995-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9006235&HistoricalAwards=false
• 关键词: Statistical; Mechanics; Dynamics; Structure; Liquids

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.

教授大卫钱德勒是由补助金的支持， 理论和计算化学计划，继续他的 动力学的统计力学处理研究 和液体结构。 这项研究将有助于 对我们对液体结构的物理理解 在分子水平上，并提供一个基本的分子 溶液中化学反应的水平描述。 钱德勒研究的主要方向是 液体中的化学动力学和量子过程。 具体来说，他计划开发扩展和应用程序， 进行时间相关量子蒙特卡罗的技术 液体系统的计算。 他还计划开发新的 液体和金属中电子态的处理 液体中的绝缘体转变。 参考互动 钱德勒研究小组开发的场地模型（RISM）将 可以扩展到溶剂化动力学的治疗，和一个新的 动力泛函积分法 还将开发玻璃化和玻璃化转变。