Ph.D. theses
- Ab initio modeling of surfaces and interfaces.
- Electronic Structure Quantum Monte Carlo development and applications
- Exciton modeling in two-dimensional MXene semiconductors.
- Structure of fermionic wavefunctions in occupation and real space.
- Monte Carlo simulations of molecules adsorbed on 2D materials.
Master theses (M.Sc.)
- Optical properties of heterostructures of 2D materials.
- Accurate calculations of adsorption energies of small molecules on semiconducting 2D materials.
- Modeling of strong correlation in nanomaterial models by stochastic approaches.
Bachelor theses (Bc.)
- Modeling of noncovalent interactions in molecular clusters.
- Visualization of excitons in hexagonal 2D materials.
- Semiempirical model of magnetism in 2D materials.
- Reference calculations of total energies by the QMC method.
- Interaction of (bio)molecules on the surfaces of (nano)materials.
Thesis In-Process
- Fermionic quantum Monte Carlo (Ph.D.).
- Modelling of two-dimensional materials, their interactions and heterostructures (Ph.D.).
- Surface-molecule interactions modelling by ab initio methods (Ph.D.).
- Computational modeling of absorption in carotenoids (M.Sc.).
- Ab initio calculations of dechlorination reactions of trichlorethylene molecules with N-doped graphene and iron atoms (Bc.).
- Modelling the optical response of 2D transition metal nitrides by many-body methods (Bc.).
- Computer modeling of reactions between chlorinated hydrocarbons and modified iron nanoparticles (Bc.).
- Prediction of material colors based on ab Initio absorption spectra (Bc.).
- Preparation of geometric structures for modelling MXenes quantum dots (Bc.).
- Equilibrium composition and its effects on the properties of chromium and manganese based MXenes (Bc.).
- Simulations of He electronic structure by quantum Monte Carlo method (Bc.).
Defended Theses
- Electronic and optical properties of semiconducting MXenes (2024, Ph.D.)
- Interpretation of the Electron Probability in High School (2024, M.Sc.)
- Fixed-node diffusion Monte Carlo for noncovalent interactions (2023, Ph.D.).
- Optical absorption in various 2D transition metal carbide phases (2023, M.Sc.).
- The effect of surface terminations on the properties and reactivity of 2D transitional metal carbides (2023, M.Sc.).
- Electronic and optical properties of 2D metal carbide-based heterostructure (2023, Bc.).
- Approximate modeling of TiO2 nanotubes (2022, M.Sc.).
- Support for teaching introductory quantum mechanics course (2022, Bc.).
- Visualization of excitonic wave functions for two-dimensional MXene material (2022, Bc.).
- Optical properties of defected fluorographene (2021, Bc.).
- Modeling of structural defects in fluorographene (2021, Bc.).
- Computer modeling of two-dimensional binary semiconductors properties using many-body methods (2021, Ph.D.).
- Fractional Charge Modeling in Atoms (2021, M.Sc.).
- Adsorption of Atoms and Small Molecules on Graphene (2019, Bc.).
- Ab initio Studies of Noncovalent Interactions in Molecular Clusters (2018, M.Sc.).
- Computer design of layered heterostructures for solar cells (2018, Bc.).
- Reference calculations of electronic band gaps for semiconductors and insulators (2017, Bc.).
- Monte Carlo simulations of molecular clusters at non-zero pressures (2016, Bc.).