Nonequilibrium Statistical Mechanics

非平衡统计力学

• 批准号: 8920553
• 负责人: Peter Wolynes
• 金额: $ 38.6万
• 依托单位: University of Illinois at Urbana-Champaign
• 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: 1990-02-15 至 1993-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8920553&HistoricalAwards=false
• 关键词: Nonequilibrium; Statistical; Mechanics

Professor Peter Wolynes is supported by a grant from The Theoretical and Computational Chemistry Program to continue his studies in the nonequilibrium statistical mechanics of condensed systems. He is applying theoretical statistical mechanics and numerical simulation techniques to studies of electron transfer in biomolecular systems, and to solvation dynamics and chemical dynamics in glassy systems. The results obtained from such studies provide a molecular level interpretation of important physical and biological processes. Professor Wolynes is conducting theoretical research in two specific areas. First, he is investigating electron transfer and recombination reactions in biomolecules, using path integral simulations appropriate for studying the deep tunneling regime. His studies in this area will help to determine the role of real time quantum interference effects and dephasing in such rate processes. The second area of research involves a continuation of his studies of glass transitions using computer simulation and renormalization group approaches. He plans to examine the problem of the glass transition in systems of confined geometry and make comparisons with NMR experiments as well as tribological experiments.

教授彼得Wolynes是由资助的支持， 理论和计算化学计划，继续他的 非平衡态统计力学研究 浓缩系统 他在运用理论统计学 力学和数值模拟技术， 生物分子系统中的电子转移，以及溶剂化 动力学和化学动力学。 结果 从这些研究中获得的结果提供了分子水平的 解释重要的物理和生物过程。 Wolynes教授正在进行理论研究， 具体领域。 首先，他正在研究电子转移 以及生物分子中的重组反应， 积分模拟适用于研究深 隧穿机制 他在这方面的研究将有助于 确定真实的时间量子干涉效应的作用 以及在这样的速率过程中失相。 的第二区域 研究涉及他对玻璃研究的继续 用计算机模拟和重正化群 接近。 他计划检查玻璃的问题 有限几何系统中的过渡，并进行比较 核磁共振实验和摩擦学实验。