Spiridoula Matsika
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Assistant Professor B.S. ('94), National and Kapodistrian University of Athens, Greece
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OFFICE
RESEARCH GROUP http://astro.temple.edu/~smatsika/
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Computational / Photonics / PhysicalResearch InterestsMost chemical processes follow the Born-Oppenheimer (adiabatic) approximation, in which the nuclei move on a single electronic potential energy surface (PES). However there are important processes where this approximation Nonadiabatic processes are closely related to the processes involved in laser control of chemical reactions. In collaboration with experimentalists we aim at understanding the underlying mechanisms involved in laser control of basic chemical reactions, such as fragmentation and isomerization. Theory is used to interpret and guide the control. ?Projects that we are working on involve:
Theoretical description of conical intersections and three-state conical intersections QM/MM methods for excited states Electronic structure methods for excited states Understanding laser control of molecular dynamics
Selected PublicationsS. Matsika, "Two- and three-state conical intersections in the uracil cation". Chemical Physics. 349, 356-362, (2008). KA. Kistler, S. Matsika, "Three-state conical intersections in cytosine and pyrimidinone bases". Journal of Chemical Physics. 128, 215102, (2008). A. Yoshikawa, S. Matsika, "Excited electronic states and photophysics of uracil-water complexes". Chemical Physics. 347, 393-404, (2008). C. Trallero, BJ. Pearson, T. Weinacht, S. Matsika, "Interpreting ultrafast molecular fragmentation dynamics with ab initio electronic structure calculations". Journal of Chemical Physics. 128, 124107, (2008). D. Laikov, S. Matsika, "Inclusion of second-order correlation effects for the ground and singly-excited states suitable for the study of conical intersections: the CIS(2) model". Chemical Physics Letters. 448, 132-137, (2007). KA. Kistler, S. Matsika, "The fluorescence mechanism of 5-methyl-2-pyrimidinone: An ab initio study of a fluorescent pyrimidine analog". Photochemistry and Photobiology. 83, 611-624, (2007).
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breaks down. These nonadiabatic events play an important role in essential processes in nature such as photosynthesis, vision, charge transfer and photochemistry. Nonadiabatic processes are facilitated by the close proximity of two PESs and the efficiency increases in the extreme case when two PESs become degenerate forming conical intersections. Theoretical developments have enabled the efficient study of conical intersections in small systems. The focus of our group is to extend these studies to more complicated systems, particularly of biological interest, in an effort to understand the underlying mechanisms of photoinitiated nonadiabatic processes and their potential implications.