Alex Mironenko

 Alex Mironenko
Alex Mironenko he/him/his
  • Assistant Professor
(217) 244-8458
209B Roger Adams Laboratory

Develops theories and computational methods to lower the cost of simulations and facilitate predictions in heterogeneous catalysis and electroseparations.

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Dr. Mironenko is an assistant professor at the Department of Chemical and Biomolecular Engineering. He develops theory-driven quantum mechanical methods to lower the cost of structure and chemical reactivity predictions of molecules and materials. Current chemistries of interest include oxidation catalyzed by metal carbide surfaces and liquid-filled porous zeolite materials, carbonylation on single-atom catalysts, and alkane/alkene electroseparations. Dr. Mironenko has been recognized with a number of honors, including ACS Petroleum Research Fund Doctoral Investigator Award (2021), Allan P. Colburn Outstanding Dissertation Prize in Mathematical and Engineering Sciences (2019), and Kadanoff-Rice Postdoctoral Fellowship (2018-2020). He joined the department in August 2020.


  • Kadanoff-Rice Postdoctoral Scholar, Department of Chemistry, University of Chicago, 2018-2020
  • PhD Chemical Engineering, University of Delaware, 2018
  • MS Chemical Engineering, University of Kansas, 2012
  • Diploma of Engineer, Chemical Engineering, Omsk F.M. Dostoevsky State University, Russia, 2009

Research Interests

  • Minimally Empirical, Quantum-Based Reactive Interatomic Potentials
  • Computational Heterogeneous Catalysis
  • Molecular Simulations of Catalyst Environments
  • Computational Modeling of Electroseparations
  • Structure-Property Relationships of Low-Dimensional Materials
  • Microkinetic Modeling

Research Statement

Dr. Mironenko develops models, theories, and mechanisms of chemical reactions for sustainable production of fuels and chemicals.

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Selected Articles in Journals


  • ACS Petroleum Research Fund Doctoral New Investigator Award (2021 )
  • Allan P. Colburn Outstanding Dissertation Prize in Mathematical and Engineering Sciences (2019)
  • Kadanoff-Rice Postdoctoral Fellowship (2018-2020)
  • William Fulbright Fellowship, Master’s Program at the University of Kansas (2010-2012)
  • Saurabh A. Palkar Graduate Award for Mentoring (2018)
  • Achievement Award, Energy Frontier Research Center, Catalysis Center for Energy Innovation, “for theoretical insights into complex reaction mechanisms of biomass upgrade” (2016)
  • AIChE Catalysis and Reaction Engineering Division Travel Award (2016)
  • Theodore A. Koch Award (Catalysis Club of Philadelphia) to attend the Car-Parrinello Molecular Dynamics Conference at University of Chicago (2016)
  • Richard J. Kokes Award for the 24th North American Catalysis Society meeting (2015)
  • FOMMS Travel Award for the Conference on Foundations of Molecular Modeling and Simulation (2014)

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