Jeffrey A. Cina of the University of Oregon, Eugene is supported by the Theoretical and Computational Chemistry Program to develop and implement theoretical methods to study the dynamics of ultrafast processes in cryogenic solids, and wave-packet interferometry in complex systems. One project is designed to provide rigorous, comprehensive analysis and interpretation of ultrafast time-resolved optical signals from molecules embedded in low-temperature rare-gas matrices. Accurate simulations of nonlinear optical signals are underway using empirically and spectroscopically derived many-body electronic potential energy surfaces. Another focus is the calculation and interpretation of nonlinear wave-packet interferometry signals from systems exhibiting surface-crossing dynamics and multi-dimensional nuclear motion. The goal of this project is to explore state reconstruction and to provide amplitude-level interpretations for complicated dynamical systems, large molecules, and energy-transfer complexes. Close interaction between theory and experiment is planned to understand and interpret the results. This work is having a broader impact on the education and training of graduate and undergraduate students to frame and solve complex theoretical and computational problems. Scientific impacts include the development of computational tools capable of treating multi-dimensional chemical and biological systems. This research also has the potential for impact in the emerging area of quantum information processing
