Systematic Means for Controlling Molecular Dynamics

教授赫歇尔Rabitz是支持下的光学补助金 理论和计算科学与工程倡议 化学计划，进行激光技术的理论研究， 控制分子动力学 研究将强调：1） 建立对分子系统可能控制的界限; 2） 确定激光脉冲的基本特征， 先进的激光场设计 分子控制技术; 4）充分探索 自适应实验室反馈作为克服固有设计的手段 不确定性和实验室误差。 虽然这项研究是 在理论上，它将与平行密切协调， 普林斯顿大学和其他地方的实验室工作。 这场 研究预计将奠定广泛的基础， 光学控制的分子操纵，以及开辟了一个新的 手段来探测分子过程中发生的复杂物理过程， 动力学 自从激光发明以来，化学家们一直梦想着有选择地 激发分子内的区域，从而引起受控的化学物质 反应发生。 然而，很久以前人们就意识到， 分子内振动能的重新分布发生得如此迅速， 不可能在选定的键中集中足够的能量， 它打破。 现在，随着激光脉冲调制技术的出现， 和控制理论的应用，看来，激光的梦想， 选择性化学可能成为现实。

Professor Herschel Rabitz is supported by a grant under the Optical Science and Engineering initiative in the Theoretical and Computational Chemistry Program to perform theoretical studies of laser techniques for controlling molecular dynamics. The research will emphasize: 1) the establishment of bounds of possible control over molecular systems; 2) the determination of the essential features of laser pulses for achieving practical control; 3) the development of advanced laser field design techniques for molecular control; and 4) a full exploration of the role of adaptive laboratory feedback as a means of overcoming inherent design uncertainties and laboratory errors. Although the research is theoretical in nature, it will be closely coordinated with parallel laboratory efforts at Princeton and elsewhere. The outcome of this research is expected to lay the broad foundations for performing optically controlled molecular manipulations, as well as opening up a new means to probe the complex physical processes occurring during molecular dynamics. Since the invention of the laser chemists have dreamed of selectively exciting regions within a molecule thus causing a controlled chemical reaction to occur. It was long ago realized, however, that intramolecular vibrational energy redistribution occurrs so rapidly that it is impossible to concentrate enough energy in a selected bond to cause it to break. Now, with the advent of laser pulse modulation techniques, and the application of control theory, it appears that the dream of laser selective chemistry may become a reality.