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07/2022: Wali Siddiqui joins the group as an undergraduate researcher. Welcome Wali!
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, activating methane to multi-carbon hydrocarbons, and upcycling plastic waste! We have multiple openings for postdocs and graduate students!
Latest News:
01/2025: Chengyu won first prize of the best poster award at New England Catalysis Symposium!
01/2025: Colin's paper on understanding the role of metals and dopants in tuning reactivity of graphene-based single atom catalysts for CO2 reduction is published in Physical Chemistry Chemical Physics. Check it out here!
12/2024: Qing received NSF CAREER award to advance ammonia electrosynthesis via lithium-mediated nitrogen reduction reaction using computational modeling. Check it out here!
11/2024: We received a grant from ACS Petroleum Research Fund to design single atom alloy catalysts for methane activation. Check it out here!
09/2024: Caroline Leduc joined us as a MS student. She will study waste plastic upcycling. Welcome Caroline!
08/2024: Connor Fawcett joined us as a PhD student. He will develop and apply embedded correlated wavefunction theory to study heterogeneous catalysis. Matthew Fei joined us as an undergraduate researcher and will work on single atom electrocatalysts for CO2 reduction. Welcome Connor and Matthew!
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!
Openings:
We have two openings for postdoctoral research associate. The positions require experience in either 1) developing and applying multireference wavefunction methods or 2) developing and applying machine learning-assisted molecular dynamics simulations. If you are interested, please send an email to Qing Zhao (q.zhao AT northeastern.edu) with your CV and one-page cover letter describing your reserach background and interests.
We have two openings for graduate students in the broad area of computational modeling of heterogeneous catalysis!
Design catalysts for energy and sustainability using electronic structure theory
