Theories of Electron Transfer and Transport and Vibrational-Energy Transfer

Cukier教授得到了理论和计算化学项目的资助，从事统计力学方面的研究，旨在从理论上理解电子转移和振动能量转移。这项研究将对涉及电子和振动能量转移的重要化学和生物过程提供基本的理论见解。长距离电子转移意味着在供体和受体之间的中间物质起着至关重要的作用，因为通过材料的电子传递有很强的成分。通过分析和模拟相结合的方法，Cukier教授将探索电子在各种材料中的平衡和输运性质。振动能量转移研究的目的是预测这些速率作为溶剂密度的函数，从气体到液体。在解离-复合反应中，将探索溶剂在驱动电子-曲线交叉中的作用。

Professor Cukier is supported by a grant from the Theoretical and Computational Chemistry Program to perform research in statistical mechanics directed toward theoretical understanding of electron transfer and vibrational energy transfer. This research will provide fundamental theoretical insight into important chemical and biological processes which involve electron and vibrational energy transfer. Long distance electron transfer implies a crucial role for the intervening material between donor and acceptor in that there is a strong component of electron transport through the material. By a combination of analytic and simulation methods, Professor Cukier will explore the equilibrium and transport properties of an electron in various materials. The aims of the vibrational energy transfer studies are to predict these rates as a function of solvent density, from gas to liquid. In dissociation-recombination reactions, the role of solvent in driving electronic-curve crossing will be explored.