Machine Learning Boosted Multi-Scale Simulation for Electrified Chemical Processes

Lecture / Panel
For NYU Community



Fanglin Che

Assistant Professor, Francis College of Engineering
University of Massachusetts Lowell


Machine Learning Boosted Multi-Scale Simulation for Electrified Chemical Processes

The usability and costly storage issues of renewable electricity from solar or wind energy become major challenges on a global scale due to the daily and seasonal variability of sunlight or wind and the geographic inequality of energy needs. A promising solution to address the above challenges lies in modular electrified chemical processes, which provide a sustainable approach to store intermittent energy chemically. 

Theoretically first determining and quantifying the roles of electrified interfacial structures, such as plasma-surface and field-dipole interactions, on controlling the activity and selectivity of chemical processes is crucial. And then integrating these roles to establish deep collaborations between machine learning and electrified interfacial chemical processes is important for rationally designing these electrified modular systems for energy storage and sustainable chemical production. 

This talk will focus on several systems those take advantage of process intensification by converting abundant resources, e.g., carbon dioxide, natural gas, and nitrogen, into valuable chemicals. The systems include: (1) organic-inorganic interface and its impact on carbon dioxide reactive capture and electrochemical conversion; (2) plasma-catalyst synergy effects on ammonia decomposition for hydrogen generation; (3) field-dipole interaction effects on ammonia synthesis for hydrogen storage and utilization.


Dr. Fanglin Che joined the Chemical Engineering department at UMass Lowell as an Assistant Professor in September 2019. Dr. Che earned her Ph.D. in Chemical Engineering at Washington State University in 2016. From 2017 to 2018, she worked on electrocatalysis at University of Toronto as a Postdoctoral Researcher. From 2018 to 2019, she worked on microwave heating as a Postdoctoral Researcher in the Department of Chemical and Biomolecular Engineering at University of Delaware. The overarching goal of Dr. Che’s research at UMass Lowell is to advance the knowledge of electrified interfacial phenomena via building data-driven multi-scale and multi-physics computational models. A special focus is placed on field-enhanced chemistry, electrocatalysis, plasma catalysis, and microwave catalysis. Dr. Fanglin Che has received the prestigious DOE Early Career in Catalysis Science at Basic Energy Science Division in 2023. Her group is also supported by the National Science Foundation, Army, and Office of Navy Research.