CAREER: Detecting Quantum Signatures in Nonadiabatic Molecular Dynamics

职业：检测非绝热分子动力学中的量子特征

• 批准号: 2340180
• 负责人: Melanie Reber
• 金额: $ 67.5万
• 依托单位: University of Georgia Research Foundation Inc
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2024
• 资助国家: 美国
• 起止时间: 2024-01-01 至 2028-12-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2340180&HistoricalAwards=false
• 关键词: CAREER; Detecting; Quantum; Signatures; Nonadiabatic

With support from the Chemical Structure, Dynamics, and Mechanisms A (CSDM-A) program in the Division of Chemistry, Melanie Reber of the University of Georgia is developing methods capable of measuring transient changes in the absorption spectra of molecules in the gas phase. Gas phase measurements, specifically in a molecular beam, allow for detailed study of the role of vibrations in excited state processes with a direct comparison to theoretical predictions. Molecular beams provide a cold and controlled environment for generating and studying small molecules but require high detection sensitivity due to the low number densities. Professor Reber and her students will use optical enhancement cavities to increase the detection sensitivity of ultrafast transient absorption spectroscopy. Their discoveries could lead to a more complete understanding of conical intersections in vibrational excited states of organic molecules and radicals. As part of the educational component, Dr. Reber will explore how the use of art and music in teaching science impacts student learning and retention of students from all backgrounds. The students involved in the project will gain highly technical training in lasers, optics, and electronics relevant to a range of high technology fields including quantum technologies. To broaden participation and awareness of the interdisciplinary fields of physical chemistry and quantum science, Dr. Reber will teach a class for incoming first-year undergraduate students to introduce them to the science, technology, and application of quantum science.The project will look at the molecular dynamics around conical intersections with both ultrafast time resolution and high spectral resolution for a detailed characterization of the dynamics. This includes the development of new instrumental techniques that study ultrafast dynamics of molecules in the gas phase with both ultrafast time resolution and high-resolution detection. The team uses ultrafast frequency comb fiber lasers in the visible and infrared spectral regions and couples them to external optical enhancement cavities to increase the signal. This enables study of dilute species in molecular beams with ultrafast transient absorption spectroscopy. Dual comb detection techniques will be developed to provide quantum-state resolution on the absorption spectra of the resultant species. The overarching objective is to study conical intersections in excited electronic states and conical intersections between vibrational states, such as Jahn-Teller interactions. This study aims to provide a detailed description of the dynamics in the gas phase for direct comparison with theory and a more complete picture of the quantum effects in the dynamics.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

在化学系化学结构、动力学和机理 A (CSDM-A) 项目的支持下，佐治亚大学的 Melanie Reber 正在开发能够测量气相分子吸收光谱瞬态变化的方法。气相测量，特别是分子束中的气相测量，可以详细研究振动在激发态过程中的作用，并与理论预测进行直接比较。分子束为生成和研究小分子提供了冷且受控的环境，但由于数密度低，需要高检测灵敏度。雷伯教授和她的学生将使用光学增强腔来提高超快瞬态吸收光谱的检测灵敏度。他们的发现可以使人们更全面地了解有机分子和自由基振动激发态的圆锥形交叉点。作为教育部分的一部分，雷伯博士将探讨在科学教学中使用艺术和音乐如何影响学生的学习和不同背景的学生的保留。 参与该项目的学生将获得与包括量子技术在内的一系列高科技领域相关的激光、光学和电子学方面的高技术培训。为了扩大物理化学和量子科学跨学科领域的参与和认识，雷伯博士将为即将入学的一年级本科生讲授一门课程，向他们介绍量子科学的科学、技术和应用。该项目将以超快时间分辨率和高光谱分辨率研究圆锥形交叉点周围的分子动力学，以详细表征动力学。这包括开发新的仪器技术，通过超快时间分辨率和高分辨率检测来研究气相分子的超快动力学。该团队在可见光和红外光谱区域使用超快频率梳状光纤激光器，并将它们耦合到外部光学增强腔以增强信号。这使得能够利用超快瞬态吸收光谱研究分子束中的稀物质。将开发双梳检测技术，以提供所得物质的吸收光谱的量子态分辨率。总体目标是研究激发电子态的圆锥形交叉和振动态之间的圆锥形交叉，例如 Jahn-Teller 相互作用。这项研究旨在提供气相动力学的详细描述，以便与​​理论进行直接比较，并更全面地描述动力学中的量子效应。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。