Photo-excited Non-adiabatic Dynamics in Nanomaterials

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I developed new time-domain ab initio simulation methods to study photo-excited dynamics in promising nanomaterials such as a DNA duplex helix and quantum dots. The results I obtained can contribute to developing next-generation photovoltaic devices. Furthermore, I developed a new semiquantum molecular dynamics simulation method to investigate nuclear quantum effects in condensed phases. This new method can be used to study not only simple liquid dynamics, but also chemical/biochemical reaction dynamics in a condensed phase, leading to get interesting and useful information in such complex systems.