Head of the Infrastructure project "Theoretical Material Science of Nanostructures"

My study is devoted to the investigation of the spin properties of the low-dimensional materials (like graphene, possible graphene spin polarization by such substrates as LSMO etc.Results of our study are published in the following journals:S. Sakai et al. Proximity-induced spin polarization of graphene in contact with half-metallic manganite ACS Nano 10, 8, 7532-7541 (2016)Z.I. Popov et al. Electronic Structure and Spin States of 2D graphene/VX2 (X=S,Se) Heterostructures Phys. Chem. Chem. Phys. 18, 33047-33052 (2016)P. Avramov et al. Theoretical Investigation of the Interfaces and Mechanisms of Induced Spin Polarization of 1D Narrow Zigzag Graphene- and h‐BN Nanoribbons on a SrO-Terminated LSMO(001) Surface J. Phys. Chem. A 121, 3, 680–689 (2017)

Head of the scientific laboratory contained 1 postdoc, 1 PhD and 4 undergraduate students.

Head of the scientific group contained 1 postdoc, 3 PhD and 2 undergraduate students.

Lecturer of course “Quantum-chemical simulations of structure and properties of solid state”

Investigation of physical (mainly electronic and elastic) properties of carbon based nanomaterials (graphene, diamond films etc) by quantum-chemical methods..

Group of Prof. David Tomanek

Group of Prof. Gottard Seifert

Theoretical study of metal/graphene complexes using ab initio DFT and TD DFT methods as well as to provide the support of experimental studies carried out in JAEA

Study of elastic properties of few-layered h-BN (results were published in Nano Letters (http://pubs.acs.org/doi/abs/10.1021/nl1022139, see also scientific news http://www.nanowerk.com/news/newsid=17408.php and http://www.chemport.ru/datenews.php?news=2188 (in Russian)): Search for the high-rate adsorbates for the molecular hydrogen (results of research were published in Nano Letters: http://dx.doi.org/10.1021/nl20072v, see also scientific news: http://fuelcellsworks.com/news/2011/06/14/carbon-grapevine-may-store-hydrogen/)Investigation of electronic properties of graphene nanoroads implemented in fluorographene (results of research were published in Nano Research: http://www.springerlink.com/content/j6451747047qx668/fulltext.pdf)Investigation of electronic, vibrational and elastic properties of diamond films with nanometer thickness (results of research were published in Journal of Physical Chemistry C: http://pubs.acs.org/doi/abs/10.1021/jp1080687)

Research. Lecturer of the courses "“Computational methods in physics” and “Quantum-chemical simulations of crystals properties”