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Cu facet-dependent CO2 reduction
Cu facet-dependent CO2 reduction

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C-C coupling in CO2 reduction reaction
C-C coupling in CO2 reduction reaction

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Stability of fullerene allotropes
Stability of fullerene allotropes

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Cu facet-dependent CO2 reduction
Cu facet-dependent CO2 reduction

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Welcome to the Zhao Research Group at Northeastern! We are also affiliated to Institute of Experiential AI. We are an interdisciplinary group working at the interface with computational chemistry, catalysis, materials science, sustainable energy, and machine learning. We focus on developing and applying computational tools (first-principles methods and machine learning models) to aid the discovery of new materials (heterogeneous catalysts, single atom catalysts, homogeneous catalysts, nanoparticles, and polymers) for sustainable energy applications (electrochemical CO2 reduction, water splitting, solar cell, and battery)! 

Latest News

  • We have one immediate opening for a postdoc. (Link)

  • 09/2022: Congratulations to Pax for winning the 1st prize in our Research Showcase!

  • 09/2022: Tanishka Kucheria joins the group as an undergraduate student. Welcome!

  • 07/2022: Wali Siddiqui joins the group as an undergraduate student. Welcome Wali!

  • 06/2022: Tyler Arnold joins the group as a REU student. Welcome Tyler!

  • 01/2022: Pax Makhura joins the group as a Masters student. Welcome Pax!

  • 01/2022: Qing Zhao joins Northeastern as an Assistant Professor. Our Computational Catalyst Design Lab is launched! (Link)

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We have openings!

Openings for graduate students. We have multiple openings for graduate students in Fall 2022! Opportunities are broadly in the areas of computational catalyst design. Graduate students (including Masters students) admitted to Chemical Engineering Department at Northeastern University are welcome to contact Dr. Zhao (q.zhao@northeastern.edu) to discuss potential projects. 

Undergraduates. We are always eager to welcome highly-motivated undergraduate students to join our lab.

Postdoctoral openings. We have one immediate postdoctoral opening. Areas of interest include heterogeneous catalysis, electronic structure methods, and machine learning for high-throughput catalyst and material design.

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