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As an emerging class of light-responsive semiconductors, hybrid organo-metal perovskites seamlessly integrate the properties of organic and inorganic materials, providing a novel and promising platform for exploring light-matter interactions. While these materials have been investigated by material scientists for over a century, research interest has surged dramatically in the past decade due to their exceptional photovoltaic performance. The hybrid nature of these frontier materials, coupled with the strong correlation between their composition, structure, and function, presents both new opportunities and challenges. In this talk, I will highlight our latest efforts in applying machine learning and high-throughput approaches to navigate the vast chemical space of organic cations in hybrid perovskites. The inverse design method accelerates the discovery of new materials, enabling precise control over the band structure of two-dimensional hybrid perovskites. These insights into the intricate interactions between organic molecules and the inorganic framework of hybrid perovskites provide guidance for experimental endeavors aimed at enhancing the performance of perovskite-based photovoltaics.

Dr. Tom Tao Wu (吳韜) is Chair Professor of Frontier Materials in the Department of Applied Physics at The Hong Kong Polytechnic University (PolyU). He earned his B.S. degree from Zhejiang University and his Ph.D. from the University of Maryland, College Park. Prior to joining PolyU as a STEM Scholar, Dr. Wu worked at Argonne National Laboratory (Chicago, USA), Nanyang Technological University (NTU, Singapore), King Abdullah University of Science and Technology (KAUST, Saudi Arabia), and the University of New South Wales (UNSW, Sydney, Australia). He has authored nearly 400 peer-reviewed papers, with over 38,000 citations and an H-index of 105 (per Google Scholar). Since 2019, he has been consistently listed as a Highly Cited Researcher by Clarivate. Over the past two decades, his research group has focused on perovskite materials—including oxide thin films, nanomaterials, and hybrid perovskites—and their electronic, magnetic, and optical functionalities. He also serves as an Associate Editor for ACS Applied Materials & Interfaces.