CAREER: Density Functional Chemistry -- The Ground State and Beyond

基隆·伯克得到了理论和计算化学项目的职业资助金的支持，以开发激发态密度泛函理论和含时密度泛函理论的新方法。他的应用包括强激光领域中的分子，线性和非线性光学响应，以及电子激发态。他还将开发一个基于工作站的科学视觉中心和一门新的计算化学多学科课程。密度泛函理论包括计算化学中的一种新方法，该方法已被证明在处理表面等大分子系统方面特别有用。这项工作的目的是提高计算精度，降低计算成本，扩大密度泛函理论的应用范围。此外，罗格斯-卡姆登化学系正在制定面向当地高中的外展计划，并设立一个新的研究生计划。最先进的工作站也将被纳入这个城市校园的本科理科课程。

Kieron Burke is supported by a CAREER Grant from the Theoretical and Computational Chemistry Program to develop new methods in excited state density functional theory and in time-dependent density functional theory. His applications include molecules in intense laser fields, linear and nonlinear optical response, and electronic excited states. He will also develop a workstation-based Science Vision Center and a new multidisciplinary course in computational chemistry.Density functional theory comprises one new method in computational chemistry that has proven particularly useful in treating large molecular systems such as surfaces. This work is aimed at improving the accuracy, reducing the computational cost, and extending the domain of applied density functional theory. Additionally, outreach programs to local high schools are under development, along with the establishment of a new graduate program in the Rutgers-Camden chemistry department. State-of-the-art workstations will also be incorporated into the undergraduate science curriculum at this urban campus.