Accelerating data-driven designs of disordered materials with representation learning and differentiable simulations

Dr. Aoni Xu is a Lecturer and Sydney Horizon Fellow at the School of Chemical and Biomolecular Engineering, The University of Sydney. She obtained her Ph.D. in Materials Science from the University of Science and Technology, Beijing. During her doctoral studies, she completed extended research appointments as a visiting scholar at the University of California, Berkeley, and the University of Toronto. Following her Ph.D., she was a Postdoctoral Fellow at the Technical University of Denmark. In 2024, she joined The University of Sydney, where her research group integrates data-driven modelling with operando experimentation to tackle challenges in climate-relevant electrochemistry. Dr. Xu's work has been recognized with awards such as the Sydney Horizon Fellowship, the DSI Ignite Grant, and the PerkinElmer Outstanding Young Researcher Award.

Haotian Chen received his D.Phil. from University of Oxford in 2022, and BSc from University of California, San Diego in 2019. With a background in chemistry, his research interest lies at the intersection of AI and Electrochemistry. Specifically, he pioneered Physics-Informed Neural Network (PINN) for electrochemistry simulation and has 19 first authored publication to date. At U-M, he will expand the horizon of AI for Electrochemistry with his mentors, exploring new algorithms for new energy systems to ultimately facilitate materialization of electric aviation for a bright future.

Jiayu Peng is an Assistant Professor of Materials Design and Innovation at the University at Buffalo, The State University of New York. He obtained his Ph.D. in Materials Science and Engineering from the Massachusetts Institute of Technology (MIT) in 2022, and subsequently served as a Postdoctoral Associate in the same department at MIT until 2024. His research group aims to combine data science and machine learning with materials physics and surface chemistry to understand and design materials for chemical transformation and energy technologies. He has been recognized with a Graduate Student Award from the Materials Research Society, the ENFL Future Investigator Spotlight from the Division of Energy and Fuels of the American Chemical Society, the IUPAC-Zhejiang NHU International Award for Advancements in Green Chemistry for Young Chemists from the International Union of Pure and Applied Chemistry, and the Healthcare & Science List of Forbes 30 Under 30 Asia.