CAREER: Theoretical Studies of the Electronic, Structural, and Vibrational Properties of Molecule-Surface Systems

9702514拉普这是对一位新教员的职业奖励。研究部分涉及分子与表面相互作用的理论研究。因为这些相互作用很强，所以把分子-表面作为一个单一的系统来对待是很重要的。理论模型将被开发和应用，以增加我们对分子与金属表面相互作用的电子、结构和振动性质的理解。所使用的方法将是最先进的量子力学密度泛函理论。该奖项的教育部分涉及本科生广泛参与研究项目，并为所有本科理科专业开发分散的研究项目。%这是对新教职员工的职业奖励。研究部分涉及分子与表面相互作用的理论研究。因为这些相互作用很强，所以把分子-表面作为一个单一的系统来对待是很重要的。理论模型将被开发和应用，以增加我们对分子与金属表面相互作用的电子、结构和振动性质的理解。所使用的方法将是最先进的量子力学密度泛函理论。该奖项的教育部分涉及本科生广泛参与研究项目，并为所有本科理科专业开发分散的研究项目。***

9702514 Rappe This is a CAREER award to a new faculty member. The research component involves theoretical studies of the interactions of molecules with surfaces. Because these interactions are strong, it is important to treat the molecule-surface as a single system. Theoretical models will be developed and applied to increase our understanding of the electronic, structural and vibrational properties of molecules interacting with metal surfaces. The methodology to be used will be state-of-the-art quantum mechanical density functional theory. The educational component of this award involves extensive participation of undergraduates in research projects and the development of distributed research projects for all undergraduate science majors. %%% This is a CAREER award to a new faculty member. The research component involves theoretical studies of the interactions of molecules with surfaces. Because these interactions are strong, it is important to treat the molecule-surface as a single system. Theoretical models will be developed and applied to increase our understanding of the electronic, structural and vibrational properties of molecules interacting with metal surfaces. The methodology to be used will be state-of-the-art quantum mechanical density functional theory. The educational component of this award involves extensive participation of undergraduates in research projects and the development of distributed research projects for all undergraduate science majors. ***