Our group develops and applies quantum mechanical methods to discover and understand heterogeneous catalysts and catalytic reaction mechanisms on a computer. The long-term research goal of the Mironenko group is to develop capabilities for designing a catalytic site with optimal stability, activity, and environment to promote a specific chemical reaction relevant to a sustainable economy.

Our Latest News

• Banhee attended the Gordon Research SeminarJanuary 18, 2026
  Banhee attended the Gordon Research Seminar (GRS) as a speaker and presented a poster at the Gordon Research Conference (GRC),… Read more: Banhee attended the Gordon Research Seminar
• Lanie successfully defended her thesisDecember 11, 2025
  Congratulations to Dr. Lanie Leung on the successful defense of her thesis! We are very proud of your accomplishment and… Read more: Lanie successfully defended her thesis
• New publication on JCPOctober 31, 2025
  Alex, Lanie, and Jiqing developed and implemented a Nonempirical Tight-Binding theory (NTB), a novel electronic method that promises to accelerate… Read more: New publication on JCP
• New publication in JACSAugust 15, 2025
  Ankit Gautam contributed to a collaborative project led by Jemin Jeon and Yuri Giovane Kappenberg from Prof Xiao Su’s group,… Read more: New publication in JACS
• New publication in ACS CatalysisJuly 10, 2025
  In this publication, led by Ankit Gautam and supervised by Prof. Alex Mironenko, the authors examined the role of surface oxidation… Read more: New publication in ACS Catalysis