I am a Postdoctoral Associate in the Department of Materials Science and Engineering (DMSE) at the Massachusetts Institute of Technology (MIT), supervised by Prof. Rafael Gómez-Bombarelli. I obtained my Ph.D. from MIT DMSE in 2022, advised by Prof. Yang Shao-Horn. Prior to MIT, I graduated with a B.Sc. in Applied Physics from the University of Science and Technology of China in 2017.
During my Ph.D., I developed physics-driven guiding principles to design new catalysts for clean energy technologies that reduce carbon emissions, generate renewable electricity, and produce green chemicals and fuels. I combined advanced characterization techniques with atomistic simulations to uncover key material parameters governing the catalytic activity and intrinsic stability of transitional metal compound catalysts, revealing physical rules underlying their performance and highlighting underexplored directions for catalyst optimization.
My current research focuses on physics-informed, data-driven materials design for decarbonization. I aim to bypass traditional research paradigms that largely rely on chemical intuition and serendipity, which can hardly grapple with balancing the reactivity and durability of functional interfaces and elucidating their intricate, dynamic nature. Combining physical chemistry, descriptors, machine learning, atomistic simulations, and experimental validation, I will couple physics-informed approaches and bleeding-edge data-driven tools to boost materials design out of an immense configurational space of compositions and structures and accelerate their global optimization.
Selected Publications† denotes equal contribution | * denotes corresponding authorship
- Data-Driven, Physics-Informed Descriptors of Cation Ordering in Multicomponent Perovskite OxidesarXiv (Preprint)
- Design Principles for Transition Metal Nitride Stability and Ammonia Generation in AcidJoule (2023)
- Human- and Machine-Centred Designs of Molecules and Materials for Sustainability and DecarbonizationNature Reviews Materials (2022)
- Stability Design Principles of Manganese-Based Oxides in AcidChemistry of Materials (2022)
- Tunable Metal Hydroxide–Organic Frameworks for Catalysing Oxygen EvolutionNature Materials (2022)
- Bismuth Substituted Strontium Cobalt Perovskites for Catalyzing Oxygen EvolutionThe Journal of Physical Chemistry C (2020)