CAREER: Synergistic theory development and computational modeling of the energy flow dynamics in soft optoelctronic molecules

职业：软光电分子能量流动力学的协同理论发展和计算建模

• 批准号: 0846899
• 负责人: Seogjoo Jang
• 金额: $ 60万
• 依托单位: CUNY Queens College
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-05-01 至 2014-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0846899&HistoricalAwards=false
• 关键词: CAREER; Synergistic; theory; development; computational

Seogjoo Jang of the City University of New York Queens College is supported by an award from the Theoretical and Computational Chemistry program to carry out research on the development of computational methods for energy flow dynamics in soft optoelectronic molecular systems. The research focuses on three factors: (1) electronic quantum coherence involving multiple excited states or sites; (2) coupling of electronic excitation to nuclear vibrational dynamics; and (3) disorder and stochastic fluctuations in the structure or energetics of molecules. For certain conjugated oligomer systems, coarse-grained models are being constructed in order to study energy flow dynamics and to model spectroscopic signals.The work is having a broader impact through the development of methods that may lead to new optical, electronic and sensor devices. It is having a further impact on students at the graduate, undergraduate and high school level in the New York metropolitan area through workshops and seminar series that Jang is developing in conjunction with his research.

纽约城市大学皇后学院的Seogjoo Jang获得了理论和计算化学项目的奖励，以开展软光电分子系统中能量流动力学计算方法发展的研究。该研究集中在三个因素：（1）涉及多个激发态或位点的电子量子相干性;（2）电子激发与核振动动力学的耦合;以及（3）分子结构或能量学中的无序和随机波动。 对于某些共轭低聚物系统，正在构建粗粒模型，以研究能量流动动力学和模拟光谱信号，这项工作正在通过开发可能导致新的光学、电子和传感器设备的方法产生更广泛的影响。 通过Jang与他的研究一起开发的讲习班和研讨会系列，它对纽约大都市地区的研究生、本科生和高中生产生了进一步的影响。