Konstantinos Vogiatzis
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Konstantinos Vogiatzis
Associate Professor
Dr. Konstantinos “Kostas” Vogiatzis completed his bachelor’s degree 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. 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. Since 2018, he has also been faculty of the Bredesen Center of the University of Tennessee.
Education
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 (2016)
Research
Our research focuses on the development of computational methods based on electronic structure theory and artificial intelligence for describing chemical systems relevant to clean, green technologies. We are particularly interested in new methods that help us explore the atomistic effects that contribute to the separation of CO2 from other gases. We are also exploring novel molecular and material catalysts for the synthesis of alternative fuels. Our overall objectives are to elucidate the fundamental physical principles underlying the sorption and catalytic properties of molecules and materials, as well as to assist in the interpretation of experimental data.
Awards
2025 Senior Fellow of Collegium Helveticum, Switzerland
2024 Pariser Faculty Award, American Conference on Theoretical Chemistry
2023 Bodossaki Distinguished Young Scientist Award
2022 Ffrancon Williams Endowed Faculty Award in Chemistry
2022 NSF CAREER award
2021 ACS OpenEye Outstanding Junior Faculty Award
2020 Ffrancon Williams Endowed Faculty Award in Chemistry
Selected Publications
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G. M. Jones, R. R. Li, A. E. DePrince III, K. D. Vogiatzis, Data-driven Refinement of Electronic Energies from Two-electron Reduced-density-matrix Theory, J. Phys. Chem. Lett., 2023, 14, 6377.
O. Queen, G. A. McCarver, S. Thatigotla, B. P. Abolins, C. L. Brown, V. Maroulas, K. D. Vogiatzis, Polymer Graph Neural Networks for Multitask Property Learning, npj Comput. Mater., 2023, 9, 90.
G. M. Jones, B. A. Smith, J. K. Kirkland, K. D. Vogiatzis, Data-Driven Ligand Field Exploration of Fe(IV)-oxo Sites for C-H Activation, Inorg. Chem. Front., 2023, 10, 1062.
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 Solver, J. Phys. Chem. Lett., 2019, 10, 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‐groups, Angew. Chemie Int. Ed., 2019, 58, 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 Opportunities, Chem. Rev., 2019, 119, 2453.