Studies of Ultrafast Phototransduction Reactions

维克托S.巴蒂斯塔是由化学理论，模型和计算方法程序的研究，涉及在动力学和光谱计算方法的发展支持。 这些措施包括时间切片传播计划的基础上动态自适应相干态表示和应用程序的光致变色化合物和分子开关的研究，最近探索的高分辨率气相和溶液光谱。这些项目涉及与E. T. J. Nibbering（Max-Born Institut）和E.C.Y. Yan博士（耶鲁大学）在一项实验和理论的联合努力中，在详细的分子水平上表征超快光转导机制的性质。光致变色化合物的拟议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，分子传感器和受体。该研究计划是与维基百科的持续发展相结合，由PI和同事建立，以促进新的教学方法，研究成果和软件开发在万维网上的传播，以及与科学，技术和研究学者（星）计划，以促进在科学中代表性不足的少数民族学生的参与。

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.