Hirschfelder Prize Seminar: Dr. Frank Noé (Microsoft)

Title: Molecular Science in the age of AI

Abstract:

Deep learning, aka AI, has already made profound impact in the sciences, as highlighted by the 2024 Nobel prizes in Chemistry and Physics. In this talk I will reflect the history of machine learning in the molecular science and discuss how deep learning can continue to disrupt some of the fundamental challenges. Examples include solving the Schrödinger equation with unprecedented accuracy, bringing quantum Chemistry to molecular and materials simulation and emulating large biomolecular systems at unprecedented throughput.

Bio:

Frank has a Bachelor degree in Electrical Engineering, a Master degree in Computer Science and a PhD from University of Heidelberg (Germany) in Computer Science and Biophysics. For 10 years he has been professor for AI for Science at Freie Universität Berlin and since 2022 he is Partner Research Manager at Microsoft Research AI for Science, leading the lab in Berlin. Frank is still honorary professor at Freie Universität Berlin and adjunct professor at Rice University Houston. Frank‘s research focuses on the development of AI methods to advance the molecular sciences, in particular addressing fundamental challenges such as the electronic structure problem in quantum Chemsitry, the many-body sampling problem in statistical Mechanics and the modeling and simulation of biomolecular structure, dynamics and function. His research was awarded with two grants of the European Research Council (ERC), Frank is an ISI highly cited fellow, a member of Berlin-Brandenburg Academy of Sciences, a fellow of the European Laboratory for Learning and Intelligent Systems (ELLIS) and a fellow of the American Physical Society (APS).

Host: Prof. Xuhui Huang

Live Stream Link: http://128.104.155.144/ClassroomStreams/chemistry1435_stream.html