NSF Young Investigator: Electron Transfer in Complex Systems

David Beratan在理论和计算化学计划中获得了NSF青年研究员奖的支持，该计划研究复杂化学系统中的电子转移。贝拉坦的研究将集中在两个主要领域：1)研究蛋白质和核酸中的电子相互作用，作为设计新的电子转移蛋白质的方法；2)合理设计具有奇异光学和传输特性的新材料。贝拉坦将使用基于结构-功能关系的计算方法进行合理的分子设计。化学家们现在正试图从分子水平开始设计光学、磁性和超导材料。这项工作的大部分涉及到计算机模型的使用，这些模型捕捉到了感兴趣的现象的基本物理学。David Beratan正在进行的工作将有助于我们更好地理解这些物理现象，模拟所需分子行为的物理模型，以及这些计算模型在新材料设计中的应用。

David Beratan is supported by an NSF Young Investigator Award in the Theoretical and Computational Chemistry Program to study electron transfer in complex chemical systems. Beratan's research will be focused in two primary areas: 1) studies of electronic interactions in proteins and nucleic acids as an approach to the design of new electron transfer proteins; and 2) the rational design of new materials with exotic optical and transport properties. Beratan will employ computational approaches to rational molecular design which are based on structure-function relationships. %%% Chemists are now attempting to design optical, magnetic, and superconducting materials starting at the molecular level. Much of this work involves the use of computer models which capture the essential physics of the phenomenon of interest. The work which is being performed by David Beratan will help to improve our understanding of these physical phenomena, the physical models which simulate the desired molecular behavior, and the application of these computational models to the design of new materials.