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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 |
- group III-V, II-VI, IV semiconductors
- perovskites
- 2D materials (transition metal dichalcogenides, group III-V)
- amorphous materials
- biomaterials
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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
- transducers and actuators
- thermoelectrics
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- many-body GW approximation
- density functional theory
- linear combination of atomic orbitals
- empirical potential force field
- kinetic Monte Carlo
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Former affiliations
Contact
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