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Affiliation
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Associate Professor, Department of Material Science and Engineering, McMaster University
Qualifications
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MEng, Zaporozhye State Technical University, Ukraine (1997)
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PhD in Material Science, Zaporozhye State Technical University, Ukraine (2001)
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Professional Engineer, Ontario (2015)
Research interests
Our group contributes to development, implementation, and application of atomistic parameter-free models that establish a relation between atomic structure and material properties in question using minimal or no experimental input at all. The objective is to further advance microscopic approaches to simulation and invention of advanced functional materials including optoelectronic and quantum materials. Our current developments can be found on GitHub. They assist in characterization of materials effective band structure perturbed by a disorder, effective masses, electronic polarization, and topological properties.
| Materials |
Properties |
Applications |
Techniques |
- semiconductors (incl. lead-halide perovskites)
- 2D materials (transition metal dichalcogenides, group III-V)
- chemical energy storage matrials (rechargable batteries)
- topological materials (characterization of Weyl semimetals, Z2 topological insulators, Chern number, Berry curvature)
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- formability and stability
- band structure
- conductivity
- impurity and defect levels
- photoluminescence
- surface structure
- adsorption of molecules at solid surfaces
- piezoelectricity
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- LED
- lasers
- solar cells
- rechargable batteries
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- density functional theory
- post DFT approximations (many-body GW)
- linear combination of atomic orbitals
- kinetic Monte Carlo
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Former affiliations
Contact
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