Nonequilibrium Statistical Mechanics

Peter Wolynes教授得到了理论和计算化学计划的资助，继续他在凝聚系统的非平衡统计力学方面的研究。他正在应用理论统计力学和数值模拟技术来研究生物分子系统中的电子转移，以及玻璃系统中的溶剂化动力学和化学动力学。从这些研究中获得的结果为重要的物理和生物过程提供了分子水平的解释。沃林斯教授正在进行两个具体领域的理论研究。首先，他正在研究生物分子中的电子转移和复合反应，使用适合于研究深隧道机制的路径积分模拟。他在这一领域的研究将有助于确定实时量子干涉效应和退相在这种速率过程中的作用。第二个研究领域涉及使用计算机模拟和重整化群方法继续他对玻璃化转变的研究。他计划研究受限几何系统中的玻璃化转变问题，并与核磁共振实验和摩擦学实验进行比较。

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.