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Vogiatzis Group

Welcome to Vogiatzis Group. Our research centers on the development of computational methods based on electronic structure theory and machine learning algorithms for describing chemical systems relevant to clean, green technologies. We are particularly interested in new methods for non-covalent interactions and bond-breaking reactions of small molecules with transition metals. Our overall objectives are to elucidate the fundamental physical principles underlying the magnetic, catalytic, and sorption properties of polynuclear systems, as well as to assist in the interpretation of experimental data.

Group News

  • 06/28/2020 – Kostas has received the Ffrancon Williams Endowed Faculty Award from the Department of Chemistry of the University of Tennessee.

  • 04/21/2020 – Our REU student Rebekah Duke (Lipscomb University) has been selected to present her research that she performed in our group at the virtual Posters on the Hill event. You can visit her virtual poster here.

  • 04/01/2020 – Congratulations to our 2nd-year grad students Virginia, Brett, and Grier for passing successfully their CRP defense! Your hard work has been rewarded!!!

  • 03/10/2020 – We are looking for talented and motivated undergraduate students who would like to work in the field of quantum chemistry and/or data sciences during Summer 2020. If you are interested, please send your CV at

  • 11/27/2019 – The group would like to welcome the two graduate students Varuna and Tobias who joined our team this Fall!

  • 11/12/2019 – John’s first first-author paper is out! Read here about his wonderful study on CO2 interactions with functionalized calixarenes.

  • 09/19/2019 – Rajesh‘s first manuscript was selected as a “hot paper” from the editor of Angewandte Chemie! That was a result of a wonderful collaboration with Drs. Chen and Shustova (University of South Carolina). Follow this link to learn more about selective catalysis at unique Rh(II) nodes of MOFs.

  • 09/05/2019 – Dr. Vogiatzis and graduate student Jacob Townsend gave multiple presentations at the American Chemical Society meeting in San Diego, CA.

  • 06/27/2019 – Check Jacob’s recent paper on data-driven acceleration of the CCSD method. Just accepted in the Journal of Physical Chemistry Letters.

  • 04/30/2019 – Our group members, Alexa Griffith, Gavin McCarver and John Hymel, won multiple departmental awards this year! Gavin received the outstanding teaching award and the second-year candidacy award, John received the C. A. Buehler Chemistry Scholarship and the Melaven-Rhenium Scholariship, and Alexa the Melaven-Rhenium Scholariship as well. Congratulations!

  • 04/23/2019 – We are very excited that our undergraduate student John Hymel won two awards (Office of Research & Engagement Bronze Award, Award of Excellence) in the Exhibition of Undergraduate Research and Creative Achievement (EURēCA) annual event at the University of Tennessee. John presented his work on CO2 interactions with functionalized calixarenes.

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