Dmitry Bezrukov

Senior Research Scientist
Center for Energy Science and Technology

Professor: Alexei Buchachenko

Dmitry graduated from the Lomonosov Moscow State University (MSU), Department of Chemistry, in 2002, where he also obtained the Candidate of Sciences degree in 2005.

Dmitry worked as Research Scientist at MSU from 2006 to 2015. In November 2015, he became a full time Associate Professor at MSU. His research and teaching interests are in theoretical physical chemistry, quantum chemistry, molecular modeling, development of new and effective numerical methods and their implementation for solving problems in these areas. In the past few years, he focused on the following objectives:

  • Building a theoretical model of catalytic centers in nanoscale metallic systems;
  • Describing the mechanisms of transformations in organic reactions by quantum chemistry methods;
  • Constructing high-precision potential surfaces for few atomic systems;
  • Studying processes of radiative association and dissociation;
  • Developing numerical approaches for solving problems in quantum chemistry and for the relativistic description of the compounds of heavy elements;
  • Studying states of atoms and small molecules in inert gas matrices.
  • Photophysics and photochemistry of atoms, ions and molecules in inert matrices
  • Quantum-chemical description of chemical reaction
  • Theoretical modelling of reaction mechanism for organic chemistry
  • Modeling of surface processes
  • N.N. Kleshchina, K.A. Korchagina, D.S. Bezrukov, A.A. Buchachenko. Modeling of Manganese Atom and Dimer Isolated in Solid Rare Gases: Structure, Stability, and Effect on Spin Coupling. J. Phys. Chem. A 121(2017)2429
  • J. Öström, D.S. Bezrukov, G. Nyman, M. Gustafsson. Reaction rate constant for radiative association of CF+. J. Chem. Phys. 144 (2016) 044302.
  • Y.A. Ivanenkov, M.S. Veselov, I.G.Rezekin, D.A. Skvortsov, Y.B. Sandulenko, M.V. Polyakova, D.S. Bezrukov, S.V. Vasilevsky, M.E. Kukushkin, A.A. Moiseeva. Synthesis, isomerization and biological activity of novel 2-selenohydantoin derivatives. Bioorg. Med. Chem. 224 (2016) 802.
  • L.G. Tao, N.N. Kleshchina, R. Lambo, A.A. Buchachenko, X.G. Zhou, D.S. Bezrukov, S.M. Hu. Heat- and light-induced transformations of Yb trapping sites in an Ar matrix. J. Chem. Phys. 143 (2015) 174306.
  • A.V. Larin, D.V. Milyaeva, A.A. Rybakov, D.S. Bezrukov, D.N. Trubnikov. Internal (SiH)(X) groups, X = 1-4, in microcrystalline hydrogenated silicon and their IR spectra on the basis of periodic DFT modelling. Mol. Phys. 112 (2014) 956.
  • N.V. Golubev, D.S. Bezrukov, M. Gustafsson, G. Nyman, S.V. Antipov. Formation of the SiP Radical through Radiative Association. J. Phys. Chem. A, V. 117 (2013) 8184.
  • A.V. Cheskidov, A.A. Buchachenko, D.S. Bezrukov. Ab initio spin-orbit calculations on the lowest states of the nickel dimer. J. Chem. Phys. 136 (2012).

MSc Degree, 2002, Chemistry Faculty M.V. Lomonosov Moscow State University

PhD Degree, 2005, Chemistry Faculty M.V. Lomonosov Moscow State University

  • Quantum chemical modeling
  • Development of new and/or efficient code for different types of molecular modelling
  • Cuda programing
  • Multi-scale approaches
  • Atomic and molecular clusters
  • Process of electron excitation for single molecule