Studies of Ultrafast Phototransduction Reactions

有了这个奖项，化学结构，动力学和机制（CSDM-A）计划和计算和数据使能科学与工程（CDSE）计划资助耶鲁大学的维克托巴蒂斯塔教授进行分子吸收光时改变形状的方式的计算研究-一类化学反应是最简单的光学探测器的基础。 这些研究将有助于为那些试图理解（除其他外）光-物质相互作用的方式以制造更好的光探测材料的研究提供信息。 从事该项目的博士后，研究生和本科生将接受严格的计算化学培训。 这项研究涉及与美国和欧洲的实验学家合作。 作为他的教育活动的一部分，巴蒂斯塔教授将通过一系列计划与年轻科学家合作，鼓励来自历史上代表性不足的群体的年轻人参与STEM主题材料。 巴蒂斯塔教授继续与“维基百科”合作，这是一个传播研究成果、软件和教学材料的在线资源。教育活动还包括参与科学技术和研究学者（STARS）计划。维克托巴蒂斯塔教授将与他的研究小组进行研究，研究一些正在进行异构化的原型分子系统。具体目标包括：（1）光致变色化合物和光感受器中光诱导反应的表征;（2）光异构化效率和时间尺度的测定;（3）溶剂化和氢键作用影响这些过程的方式的表征。 参与该项目的年轻研究人员将接受扎实的技术培训，包括与耶鲁大学艾尔莎严教授和德国马克斯波恩研究所的Erik Nibbering教授的实验小组合作。

With this award, the Chemical Structure, Dynamics and Mechanisms (CSDM-A) Program and the Computation and Data Enabled Science and Engineering (CDSE) Program are funding Professor Victor Batista of Yale University to conduct computational studies of the ways that molecules change shape when they absorb light -- a class of chemical reaction that is the basis of the most simple optical detector. These studies will help to inform studies that attempt to understand (among other things) the ways that light-matter interactions can be tuned to make better light-detecting materials. Post-doctoral, graduate and undergraduate students working on this project will receive rigorous training in computational chemistry. The research involves collaboration with experimentalists in the US and in Europe. As part of his educational activities, Prof. Batista will work with young scientists through a number of programs to encourage young people from historically underrepresented groups to engage with STEM subject material. Prof. Batista continues his work with 'Wikidchem', an online resource for dissemination of research findings, software and pedagogical material. Educational activities also include participation in the Science Technology and Research Scholars (STARS) program.Prof. Victor Batista will carry out studies with his research group to investigate a number of prototypical molecular systems undergoing isomerization. The specific aims include: (1) the characterization of photoinduced reactions in photochromic compounds and in photoreceptors; (2) the determination of photoisomerization efficiencies and time scales; (3) the characterization of the ways in which solvation and hydrogen bonding influences these processes. The young researchers working on this project will receive solid technical training, including collaboration with the experimental groups of Prof. Elsa Yan at Yale University and Prof. Erik Nibbering at the Max Born Institut Germany).