Division/Committee: [CATL: Division of Catalysis Science and Technology] [COMP: Division of Computers in Chemistry] [ENFL: Division of Energy and Fuels] [ENVR: Division of Environmental Chemistry] [PHYS: Division of Physical Chemistry]

Catalysts are growing increasingly complex and expensive to develop, while compute power and experimental automation capabilities continue to grow rapidly. As such, the data-driven design of catalysts is becoming increasingly feasible to overtake low-throughput, traditional trial-and-error approaches. This symposium focuses on recent advances in simulation and experimentation that leverage diverse data-driven approaches to design catalysts. Combined experimental and computational efforts are particularly encouraged. Examples of topics include but are not limited to: (1) Computational catalyst design translated to experimental validation; (2) High-throughput screening of catalysts for reactivity, selectivity, and durability; and (3) Self-driving experimentation to automate catalyst discoveries.

Alexander Hoffman

Massachusetts Institute of Technology

Appearances