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

Kieron Burke获得了理论与计算化学项目的CAREER资助，致力于开发激发态密度泛函理论和时变密度泛函理论的新方法。他的应用包括强激光场中的分子，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多学科计算化学课程。密度泛函理论是计算化学中的一种新方法，已被证明在处理大分子系统（如表面）方面特别有用。本工作旨在提高密度泛函理论的精度，降低计算成本，扩展应用密度泛函理论的领域。此外，与当地高中的外展项目正在开发中，同时在罗格斯-卡姆登大学化学系建立了一个新的研究生项目。最先进的工作站也将被纳入这个城市校园的本科科学课程。

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.