Altering the Course of Quantum Dynamics Phenomena

有了这个奖项，化学系的化学理论，模型和计算方法（CTMC）计划正在支持普林斯顿大学的Hershel Rabitz教授进行分子量子动力学控制的理论研究。 该奖项由化学部的另外两个项目共同资助; namley化学结构动力学和机制-A（CSDM A）和化学测量和成像（CMI）。自从1960年代激光被发明以来，科学家们就推测，也许有一天可以用这些特殊的光源来操纵分子，甚至有选择地破坏化学键。这一前景预示着对分子进行“激光手术”，即改变分子的一部分，同时不改变其他部分。Rabitz实验室的研究旨在开始为这一愿景成为现实奠定基础。这项工作涉及理论研究，建立影响分子精确操作的激光设计的关键原则。理论原理考虑到实验室激光资源的性质以及分子的结构和其他特征以及它们如何与激光相互作用。这项研究的结果预计将提供更深入的了解激光分子相互作用和实际可实现的分子目标，在未来几年内使用先进的激光资源。在Rabitz实验室接受培训的学生接受高度广泛和高度跨学科的教育。 能够实现分子的特定操纵的定制激光脉冲的发现被执行为在量子力学定律内工作的优化过程。Rabitz教授的目标是探索所谓的量子控制景观的特征，这是作为激光控制场的函数的分子可观察特性。这些景观的结构是必不可少的理解，因为寻找一个最佳的控制领域需要攀登的景观，以达到最高的化学产品产量。地形上可能存在的复杂障碍特征可能会阻碍这种搜索。 Rabitz及其同事开发了特殊的理论工具来揭示真实的景观结构，并探索其对分子实际激光控制的影响。同时，该团队将开发理论工具来研究激光场操纵量子动力学现象的机制，包括化学键断裂。此外，Rabitz小组进行的机理研究旨在为从实验数据中提取激光驱动动力学的物理模型奠定基础。

With this award, the Chemical Theory, Models and Computational Methods (CTMC) Program in the Chemistry Division is supporting Professor Hershel Rabitz of Princeton University to conduct theoretical studies on the control of quantum dynamics in molecules. This award is cofunded by two other programs in the Chemistry Division; namley Chemical Structure Dynamics and Mechanisms-A (CSDM A) and Chemical Measurement and Imaging (CMI). Ever since lasers were invented in the 1960's, scientists have speculated that it may someday be possible to use these special light sources to manipulate molecules and even selectively break chemical bonds. This prospect holds out promise of essentially "performing laser surgery" on molecules, whereby one portion of the molecule is altered while simultaneously leaving other areas untouched. The research in the Rabitz laboratory seeks to begin to lay the foundation for this vision to become a practical reality. The effort involves theoretical studies establishing the key principles for the creation of laser designs affecting precise manipulation of molecules. The theoretical principles take into consideration both the nature of laboratory laser resources as well as the structure and other features of molecules and how they interact with laser light. The outcome of this research is expected to provide a more thorough understanding of laser-molecule interactions and the practical attainable molecular goals lying ahead in the coming years using advanced laser light resources. Students trained in the Rabitz laboratory receive a high broad and highly inter-disciplinary education. The discovery of tailored laser pulses capable of achieving specific manipulations of molecules is performed as an optimization process working within the laws of quantum mechanics. Professor Rabitz aims to explore the features of what is called the quantum control landscape, which is the molecular observable property of interest as a function of the laser control field. The structure of these landscapes is essential to understand, as the search for an optimal control field entails a climb of the landscape to the highest attainable chemical product yield. The possible presence of complex hindering features on the landscape could impede such searches. Rabitz and coworkers develop special theoretical tools to reveal the true landscape structure and explore its implications for practical laser control of molecules. Concomitantly, the team will develop theoretical tools to investigate the mechanisms by which laser fields manipulate quantum dynamics phenomena including for chemical bond-breaking. Moreover, the mechanistic studies performed by the Rabitz group aim to lay a foundation for extracting physical models of laser driven dynamics extracted from experimental data.