For students

We are always available to discuss possible projects and Bc/MSc/PhD theses topics. There are several options available, listed below, which typically include calculations, however, code development or analytic derivations are also possible. If you are interested or you would just like to know more, contact us.

We also guarantee the study field Physics of Nanostructures. Study plans (in Czech) are available here, here and here.

Study materials (in Czech) for current courses can be found here.

Ph.D. theses

Ab initio surface-molecule interactions.
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

Fixed-node diffusion Monte Carlo for noncovalent interactions (Ph.D.).
Fermionic quantum Monte Carlo (Ph.D.).
Electronic and optical properties of 2D materials (Ph.D.).
Computational modeling of absorption in carotenoids (M.Sc.).
Computer modeling of reactions between chlorinated hydrocarbons and modified iron nanoparticles(Bc.)

Defended Theses

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.).