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.
Biosketch： 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.