[Aspuru-Guzik Group List] Klaus Robert Müller visit tomorrow

Hi everyone, This is a reminder that Prof. Klaus Robert Müller will be visiting the group tomorrow. He will give a talk at 11am, please see details below. We also have one meeting time with him at 9am in New Siberia for all group members that are interested in meeting with him. Jennifer ------------------------------------------------------------- Klaus-Robert Müller TU Berlin, Korea University, MPII Nov. 15, 11 - 12pm Maxwell Dworkin 119 The talk starts by gently introducing selected machine learning (ML) concepts useful for analysing data from atomistic simulations, namely kernel methods and deep learning. Based on this and if time permits, two applications of ML usage are presented (1) ML for predicting quantum mechanical properties across chemical compound space and (2) ML for molecular dynamics. Finally, the importance of understanding of ML models obtained from training on data of atomistic simulations is stressed.