Path Integral Theory of Electron Transport in Chemical and Biological Systems

Chi Ho Mak得到了理论和计算科学基金会的资助。 化学计划，以继续他的研究路径积分理论， 化学和生物系统中的电子传输。 费曼路径 积分理论与量子蒙特卡罗结合应用 技术的研究机制，电子输运在一个 分子电子系统的数量。 化学物质的影响 环境对运动的电子检查有关的 电子转移反应的量子力学特征。 各种 隧穿、相干、量子干涉和电子 将研究相关性，并努力了解 绝热和非绝热势垒交叉之间的交叉区域。 应用包括细菌中电荷分离速率的研究 光合反应中心，一个潜在的有用的分子量子 干涉器件与一维分子量子电导 电线. 对分子中电子长程输运的认识 系统具有重要的理论意义。 它也是 在一个快速增长的领域的关键目标，已被称为 分子电子学 分子电子学涉及控制 通过使用外部信号，电子在分子中流动。 工作 这一领域最终可以导致具有小型化的电子设备 在分子尺度上。

Chi Ho Mak is supported by a grant from the Theoretical and Computational Chemistry Program to continue his research in path integral theory of electron transport in chemical and biological systems. Feynman path integral theory is applied in conjunction with Quantum Monte Carlo techniques to the study of the mechanisms for electron transport in a number of molecular electronic systems. The influence of the chemical environment on the motions of the electron is examined in relation to the quantum mechanical features of electron transfer reactions. Various aspects of tunneling, coherence, quantum interference and electron correlation will be studied, and an effort will be made to understand the crossover region between adiabatic and nonadiabatic barrier crossings. Applications include studies of charge separation rate in the bacterial photosynthetic reaction center, a potentially useful molecular quantum interference device, and quantum conductance of one-dimensional molecular wires. The understanding of long-range transport of electrons in molecular systems is of fundamental theoretical importance. It is also one of the key objectives in a rapidly growing area which has become known as molecular electronics. Molecular electronics involves the control of electron flows in molecules through the use of external signals. Work in this area may eventually lead to electronic devices with miniaturization on the order of molecular dimensions.