CAREER: Theoretical Aspects of Single Molecule Spectroscopy: Control, Tracking, and Unraveling Dynamical Events in the Condensed Phase

圣母大学的J.Eli Barkai教授通过职业生涯奖获得理论和计算化学项目的支持，以开发单分子光谱治疗的理论方法，单分子光谱是一种强大的现代技术，用于研究广泛的物理、化学和生物物理现象。人们正在考虑几种应用：按需单光子理论；凝聚相环境中分子系统的反聚束行为；量子点的非遍历闪烁；跟踪溶液中的单分子；以及单大分子荧光。Barkai正在使用量子跳跃方法，也被称为量子蒙特卡罗方法，来为这些系统建模。作为这一职业奖项的一部分，Barkai教授正在开发几门理论和计算化学课程，其中一门是针对化学以外系的学生的跨学科课程。此外，这项研究将对化学以外的领域产生广泛影响，特别是在生物和医学领域，单分子光谱学有望在这些领域发挥作用。

Professor J. Eli Barkai of the University of Notre Dame is supported by the Theoretical and Computational Chemistry program through a CAREER award to develop theoretical methods for the treatment of single molecule spectroscopy, a powerful modern technique used to investigate a wide range of physical, chemical and biophysical phenomena. Several applications are being considered: the theory of single photons on demand; anti-bunching behavior for molecular systems in condensed phase environments; non-ergodic blinking of quantum dots; tracking of single molecules in solution; and single macromolecular fluorescence. Barkai is using the quantum jump approach, also called the quantum Monte Carlo approach, to model these systems.As part of this CAREER award, Professor Barkai is developing several courses in theoretical and computational chemistry, one of which is an interdisciplinary course aimed at students from departments beyond Chemistry. In addition, the research will have a broad impact on fields beyond chemistry, especially those of biology and medicine in which single molecule spectroscopy is expected to play a role.