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Chenyang Li has worked in various research roles since 2014. In 2014, they were a Research Assistant Intern at Penn State University, working with Dr. Ismaila Dabo and collaborating with Dr. Keiko Sasaki (Japan) to use NMR characterization and IR/ Raman spectroscopy in the process of co-precipitation of hydroxyapatite by first principles calculation. From 2015 to 2021, they were a Research Assistant at The Johns Hopkins University, working with Dr. Tim Mueller and Dr. Chao Wang to use machine-learning-aided first principles design of alloy catalysts for CO2 reduction and Bayesian cluster expansion and Monte Carlo simulation to predict the shape, atomic order, and catalytic activity of alloy nanoparticles. Since 2021, they have been a Postdoctoral Research Associate at Argonne National Laboratory, working with Dr. Rajeev S. Assary to optimize non-aqueous electrolyte conditions for CO2 utilization using physics-informed artificial intelligence techniques and to gain molecular insights of catalytic mechanisms of ketonization and etherification for sustainable biofuel conversion. Chenyang is currently a Research Scientist, Machine Learning at Kyulux.

Chenyang Li obtained a Doctor of Philosophy - PhD in Materials Science from The Johns Hopkins University in 2020 and a Bachelor of Science - BS in Materials Science from Penn State University in 2015. In 2016, they obtained a Certificate of Machine Learning for Materials Research Bootcamp from the University of Maryland.