Team Leaders

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Team Leaders

Robert A. Evarestov

Doctor of physico-mathematical sciences, professor, head of department

Research areas:

- Structure and stability of nano-systems: carbon and inorganic nanotubes, fullerenes, surfaces

Alexander V. Tulub

Doctor of physico-mathematical sciences, professor,


Research areas:

-Properties and reactions of clusters: magnetic properties of mixed clusters (silicon and iron), Grignard and Barbier reaction (clusters of magnesium and zinc)

Andrey I. Panin



Research areas:

-Mathematical Chemistry: the study of electron Fock space and various algebraic structures on this space

Sergey G. Semenov

Ph.D, Associate Professor


Research areas

Quantum chemistry of molecules: structure, properties and interconversion of organic molecules and molecular ions in solutions and other polarizable media

Victor I. Baranovskiy

Doctor of chemical sciences, professor

Research areas:

- Photochemistry of transition metal complexes: the structure of the potential surfaces of the ground and excited states (minima, conical intersections)

Some Representative Publications

A Comparative ab initio thermodynamic study of Oxygen vacancies in ZnO and SrTiO3: emphasis on phonon contribution. J. Phys. Chem. C, 117, Р. 13776-13784 (2013)

Rod groups and their settings as special geometric realisations of line groups. Acta Crystallographica Section A, 68(5), P. 582–588 (2012)

Polynomial approximations of electronic wave functions. J. Math. Chem., 49 (8), Р. 1599-1623 (2011)

Adamant-1,3,5-triyl super dodecahedranes. Journal of Structural Chemistry, 54(5), Р. 960-962 (2013)

Electronic Structure of the Active Site of Truncated Hemoglobin N in MCSCF Approach. Mathematical Biology &Bioinformatics, 6(1), P.23-38 (2011)

Comparison of zinc and magnesium clusters in their reaction with organochlorides: Toward a molecular picture of grignard reagent formation. International Journal of Quantum Chemistry, 112(18), P. 3002-3007 (2012)

Systematic quantum chemical research of the reaction of magnesium clusters with organic halides. Computational and Theoretical Chemistry, 995, P. 55-65 (2012)

Microscopy of carbon steels: Combined AFM and EBSD study. Applied Surface Science, 267, P.216-218(2013)

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