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Welcome to Zhao Group at NEU!

We develop and apply electronic structure theory and machine learning to design catalysts for new energy and sustainability. We are interested in transforming carbon dioxide to fuels, converting nitrogen gas to ammonia, and activating methane to multi-carbon hydrocarbons! 

Latest News:

04/2024: We received a grant from NSF to work on developing accurate electronic structure theory, embedded correlated wavefunction theory, for kinetic modeling in heterogeneous catalysis. Check it out here!

02/2024: Colin's paper on single atom electrocatalyst published in JPCC! Check it out here!

09/2023: Dr. Kothakonda joined us as a postdoc. He is going to work on high-throughput electrocatalyst design. Welcome Manish!

09/2023: Chengyu joined us as a PhD student. He is going to work on lithium-mediated nitrogen reduction reaction. Welcome Chengyu!

08/2023: We received a grant from ARPA-E to work on high-throughput automated microkinetic modeling for electrocatalysts. Check it out here!

Design catalysts for energy and sustainability using electronic structure theory

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