報告題目: Photochemistry, behaviors of molecules and materials upon excitations

　　報告人: 舒逸楠 博士 （University of Minnesota）

　　時間：2019 年8月13日(星期二)，上午10:00-11:30

　　地點：方正大樓312小會議室

　　報告摘要：

　　The Intergovernmental Panel on Climate Change has set up the global warming of 1.5 degrees goal in 2018. This meeting has urged everyone to take action right away in order to protect our Earth. One of the ultimate solutions towards the global warming is to efficiently utilize the solar energy. Hence an atom-by-atom perspective on the photochemical and photophysical processes is of great importance for the purpose to design the next generation optoelectronic materials. In this talk, I will introduce you a hierarchy of electronic structure theories, nuclear dynamics algorithms and material optimization algorithms over the years that developed by us in order to understand complex photochemical reactions in an efficient and accurate way. In addition, I will discuss some of the successful applications of our methods ranges from optoelectronic materials to small molecule photochemical reactions.

　　報告人簡介：

　　Yinan Shu has received his Ph.D. degree from Michigan State University in 2016 working under Prof. Benjamin G. Levine and is currently performing his postdoctoral research under Prof. Donald G. Truhlar at University of Minnesota. His research interests involve electronic structure theories, nonadiabatic dynamics, machine learning and quantum computing.

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　　理論與計算化學所 2019.8.8