Professor: Andriy Zhugayevych
Dmitry started his research activity in 2008 being a second year student at Belgorod State University (BSU). He was working in the Laboratory of Theoretical Investigations and Computer Simulation under supervision of A.G. Lipnitskii studying grain boundary segregation of impurities and precipitation of Ti-C phases in titanium alloys using quantum mechanics approaches. Dmitry graduated from BSU with honors in 2011, and defended his Candidate of Sciences degree in Physics and Mathematics in 2014. Dmitry won DAAD scholarship for young scientists in 2013 to continue his research at Max-Planck-Institute for Iron Research (MPIE), Düsseldorf, Germany. He worked there in the Computational Materials Design Department headed by Prof. J. Neugebauer with the assistance of T. Hickel.
At Skoltech, Dmitry use computational methods to study and develop inorganic materials. The main focus is on cathode materials for secondary metal-ion batteries (Li-ion, Na-ion, K-ion). Using especially developed tools for high-throughput DFT calculations [SIMAN] Dmitry is searching for cathode materials with stable structure, low migration barriers of diffusion and high energy density.
Computational materials science, transition metal oxides, metallic alloys, defects of atomic structure, interface segregation, diffusion, metal-ion battery cathode materials, density functional theory, development of computational techniques.
Density functional theory study of cathode materials for battery applications.
Study of alkali ion diffusion mechanisms in battery cathode materials (LiFePO4, Na2FePO4F, KVPO4F).
Study of point and surface defects in battery cathode materials.
Prediction of catalytic activity of transition metal oxides.
Development of computational framework SIMAN for high-throughput DFT calculations.
Development of materials database of CEE CREI.
Study of grain boundary segregation and precipitation in titanium using first-principles,
Study of radiation swelling mechanism in vanadium radiation-resistant alloy
Prediction of hydrogen solubility in titanium
Belgorod State University, Belgorod, RU, Physics and Engineering, Specialist, 2011
Belgorod State University, Belgorod, RU, Condensed Matter Physics, Candidate of Science, 2014
2014 DAAD Scholarship: «Research fellowship for young scientists»
2013 Scholarship of the Russian Federation President for young scientists
2013 Scholarship of the Belgorod governor for young scientists
2011 Scholarship of the Russian Federation President for young scientists
2010 Scholarship of the Russian Federation Government for young scientists