Speaker: Professor Chun-Wei Pao
Topic: Application and Challenge of Machine Learning in Atomic-scale Simulation
Speaker:Professor Chun-Wei Pao
Organization:Research Center for Applied Sciences, Academia Sinica
Topic:Application and Challenge of Machine Learning in Atomic-scale Simulation
Date:10:20 , 2020.3.16
Location:Room 203, College of Engineering
Education:
Princeton University (U.S.A.) / Department of Mechanical and Aerospace Engineering / PhD
National Taiwan University / Institute of Applied Mechanics / MS
National Tsing Hua University / Department of Power Mechanical Engineering / BS
Work Experience:
National Chiao Tung University / Department of Photonics / Adjunct Professor
National Dong Hwa University / Department of Materials Science and Engineering / Adjunct Professor
Academia Sinica / Research Center for Applied Sciences / Research Fellow
Los Alamos National Laboratory (U.S.A.) / Theoretical Division / Post-doctoral Research Associate
Abstract:
Machine learning has drawn significant amount of attentions around the world because of their capability of building predictive models that are difficult to be extracted solely by human brains. In this talk, I will talk about application of machine learning models on atomistic simulation of complex material systems. I will briefly introduce the machine-learning-enabled energy predictors, and show their applications in complex perovskite materials and novel complex earth-abundant solar cell materials. I will demonstrate that the machine-learning-enabled models offer tens of thousand times computational speedup relative to first-principle calculations, and will also discuss the drawback of these models.