Studies of Ultrafast Phototransduction Reactions

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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).