CAREER: Theoretical Studies of Condensed Phase Conduction and Spectroscopic Processes

Brian Space由理论和计算化学项目的CAREER基金资助，从事凝聚态传导和光谱过程的理论研究。本研究项目着重于凝聚态和界面现象的理论研究。研究主要集中在两个方面：1)金属-介电界面的电子局域化和传导行为的研究；2)继续发展瞬时正态模态理论，以更好地理解液态光谱中包含的信息。Space还将把他的研究和教学工作结合起来，将计算机模拟引入杜肯大学的本科物理化学课程。瞬态正态方法正迅速成为理解凝聚相系统复杂行为的有力新工具。他们为解释实验光谱数据和其他材料特性提供了新的分子见解

Brian Space is supported by a CAREER grant from the Theoretical and Computational Chemistry Program to perform theoretical studies of condensed phase conduction and spectroscopic processes. This research program focuses on the theoretical investigation of condensed phase and interfacial phenomena. The research is concentrated in two areas: 1) the investigation of electronic localization and conduction behaviors at metal-dielectric interfaces; and 2) the continued development of instantaneous normal mode theories to better understand the information contained in liquid state spectra. Space will also integrate his research and teaching efforts by introducing computer simulation into the undergraduate Physical Chemistry curriculum at Duquesne University. Instantaneous normal mode methods are rapidly emerging as a powerful new tool for understanding the complex behavior of condensed phase systems. They are providing new molecular insights into the interpretation of experimental spectroscopic data and other materials properties