Studies of Ultrafast Phototransduction Reactions

维克多·S·巴蒂斯塔在涉及动力学和光谱学计算方法开发的研究方面得到了化学理论、模型和计算方法计划的支持。其中包括基于动态自适应相干态表示的时间切片传输方案，以及在高分辨率气相和溶液光谱最近探索的光致变色化合物和分子开关研究中的应用。这些项目涉及与E.T.J.Nibbering(Max-Born Institut)和E.C.Y.Yan(Yale University)的跨学科合作，共同进行实验和理论工作，以在详细的分子水平上表征超快光传导机制的性质。拟议中的光致变色化合物研究与新技术特别相关，包括光学数据存储、光控分子开关、分子电子逻辑门和分子纳米技术，包括分子马达、分子传感器和接收器。该研究计划与国际和平协会及其同事建立的维基化学中心的持续发展相结合，以促进在万维网上传播新的教学方法、研究成果和软件开发，并与科学、技术和研究学者(STAR)计划相结合，以促进未被充分代表的少数族裔学生参与科学。

Victor S. Batista is supported by the Chemical Theory, Models and Computational Methods program in research that involves the development of computational methods in dynamics and spectroscopy. These include time-sliced propagation schemes based on dynamically adaptive coherent-state representations and applications to studies of photochromic compounds and molecular switches recently explored by high-resolution gas-phase and solution spectroscopy. The projects involve interdisciplinary collaborations with E.T.J. Nibbering (Max-Born Institut) and E.C.Y. Yan (Yale University) in a joint experimental and theoretical effort to characterize the nature of ultrafast photo-transduction mechanisms at the detailed molecular level.The proposed studies of photochromic compounds are particularly relevant to new technologies, including optical data storage, optically controlled molecular switching, molecular electronic logic gates, and molecular nanotechnology, including molecular motors, molecular sensors and receptors. The research program is integrated with the continued development of Wikidchem, established by the PI and co-workers to facilitate the dissemination of new pedagogical approaches, research findings, and software developments on the World Wide Web, as well as with the Science, Technology and Research Scholars (STARS) program to foster the participation of underrepresented minority students in the sciences.