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Konstantinos Vogiatzis

Associate Professor


Our research centers on the development of computational methods based on electronic structure theory and machine learning algorithms for describing chemical systems relevant to green chemistry. 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.


Konstantinos "Kostas" Vogiatzis graduated from the Hellenic-American Educational Foundation and completed his B.S. in chemistry at the University of Athens, Greece, in 2006. In 2008, he obtained his MSc in Applied Molecular Spectroscopy from the University of Crete, Greece, and he received his Ph.D. in 2012 from the Karlsruhe Institute of Technology, Germany. After an eight-month post-doctoral appointment at the Institute of Nanotechnology at the Karlsruhe Institute of Technology, he moved in 2014 at the University of Minnesota, where he performed post-doctoral research at the group of Prof. Laura Gagliardi. In 2016, Dr. Kostas Vogiatzis joined the University of Tennessee, Knoxville, as an Assistant Professor of theoretical and computational chemistry and in 2021 he was early tenured and promoted to Associate Professor. His research group is currently developing new computational methods based on electronic structure theory and machine learning for the theoretical examination of reactivity, catalysis and separation processes. Kostas is the recipient of the 2020 Ffrancon Williams Endowed Faculty Award in Chemistry, the ACS OpenEye Outstanding Junior Faculty Award for Spring 2021, and the 2022 NSF CAREER award.


B.S., University of Athens, Greece (2006)
M.S., University of Crete, Greece (2008)
Ph.D., Karlsruhe Institute of Technology, Germany (2012)
Postdoctoral research assistant, Karlsruhe Institute of Technology, Germany (2013)
Postdoctoral research assistant, University of Minnesota


Click to view a full list of publications.

G. A. McCarver, T. Rajeshkumar, K. D. Vogiatzis, Computational Catalysis for Metal-Organic Frameworks: An Overview, Coord. Chem. Rev., 2021, 436, 213777.

J. Townsend, C. P. Micucci, J. H. Hymel, V. Maroulas, K.D. Vogiatzis Representation of molecular structures with persistent homology for machine learning applications in chemistry, Nat. Commun., 2020, 11, 3230.

J. Townsend, K. D. Vogiatzis,Data-Driven Acceleration of the Coupled-Cluster Singles and Doubles Iterative SolverJ. Phys. Chem. Lett.201910, 4129.

R. Anneser, G. R. Elpitiya, J. Townsend, E. J. Johnson, X. B. Powers, J. F. DeJesus, K. D. Vogiatzis, D. M. Jenkins,Unprecedented Five‐coordinate Iron(IV) Imides Generate Divergent Spin States Based on Imide R‐groupsAngew. Chemie Int. Ed.201958, 8115.

D. Vogiatzis, M. V. Polynski, J. K. Kirkland, J. Townsend, A. Hashemi, C. Liu, E. A. Pidko,Computational Approach to Molecular Catalysis by 3d Transition metals: Challenges and OpportunitiesChem. Rev., 2019119, 2453. 

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