Pristupačnost
Charge Distribution and Lithium Oxide Stability Modeled by Reactive Force Field
Development of novel monolithic catalyst for BTEX catalytic oxidation using 3D printing technology
Augmented reality technology in teaching about physics: a systematic review of opportunities and challenges
Dihydrogen attachment and dissociation reactions in Fe(H)2(H2) (PEtPh2)3: a DFT potential‑energy scan
"Fit for purpose" principle from customer's viewpoint: Refstyler - case study of a simple novel bibliography style translator
"Fit for purpose" principle from customer's viewpoint: RefStyler - case study of a simple novel bibliography style translator
CATALYST COMPOSITION FROM THEORETICAL MODEL OF RAMAN SPECTRA
Experimental and theoretical (ReaxFF) study of manganese-based catalysts for low-temperature toluene oxidation
ReaxFF force field development and application for toluene adsorption on MnMOx (M = Cu, Fe, Ni) catalysts
Photocatalytic degradation of imidacloprid in the flat-plate photoreactor under UVA and simulated solar irradiance conditions—The influence of operating conditions, kinetics and degradation pathway
ReaxFF force field development and application for toluene adsorption on MnMOx (M=Cu, Fe, Ni) catalysts
Photodegradation of neonicotinoids on a TiO2-based photocatalysts - efficiency of reactive oxygen species
Photodegradation of neonicotinoids on a TiO2-based photocatalysts - efficiency of reactive oxygen species
Reactive force field optimization and MnFeO3 catalyst theoretical investigation
Toluene oxidation on metal-oxide catalysts: Theoretical modeling
Toluene oxidation on metal-oxide catalysts: Theoretical modeling
Hydrogen attachment and release in Fe(H)2(H2) (PEtPh2)3. Theoretical predictions.
Metal Cluster (M 2–M 60, M = Au, Cu, Ni, Pt) Formation as Investigated Using the Reactive Force Field
Fluxionality of Hydrogen Ligands in Fe(H)(2)(H(2)) (PEtPh(2))(3))
DFT study of radicals formed in 2-thiothymine single crystals at 77 K: 1- and 2-molecule models revised
Modeling of the bis(glycinato)copper(ii) cis-trans isomerization process: Theoretical analysis
Two possible bis(glycinato)copper(II) isomerization mechanisms -Theoretical predictions
DFT study of radicals formed in 2-thiothymine single crystals at 77K
Structure Prediction of Bis(amino acidato)copper(II) Complexes with a New Force Field for Molecular Modeling
Molecular modelling of copper(II) complexes with histidine
Theoretical analysis of Fe(H)2(η2-H2) (PEtPh2)3 structure and energetics
TDDFT study of nucleobase thioanalogues and oxo-derivatives excited states
A new cytosine-copper paramagnetic complex Spectroscopic study
EPR study of a sulfur-centered π radical in γ-irradiated single crystal of 2-thiothymine
DFT study of sulfur centered radicals formed in 5-methylcytosine hemihydrate crystal doped with 5-methyl-2-thiocytosine
Radicals formed in cytosine– hydrochloride(thiocytosine) single crystals: Insights from a DFT study
Dependence of the radical g-tensor on the molecular environment. Sulfur-centered radicals of thiocytosine in the cytosine crystal matrices.
TDDFT investigation of singlet and triplet excited states of nucleobase thioanalogs
Thiocytosine as an example of nucleobase thioanalog hole trap in a dna-mimetic system
EPR spectroscopy of superhyperfine interaction in the copper paramagnetic center in the crystal of cytosine monohydrate
EPR study of a copper impurity center in a single crystal of 2-thiothymine
Ionization potentials of nucleobase analogs using partial third-order electron propagator method
Thiocytosine as a hole trap in a system of stacked cytosine bases
DFT study of EPR hyperfine couplings in cytosine-thiocytosine crystal
Density functional theory investigation of the proton hyperfine couplings in thiocytosine oxidation product in the cytosine monohydrate crystal lattice
Spin couplings in a copper-cytosine complex
Sigma radicals in gamma-irradiated single crystals of 2-thiothymine
Teaching
University undergraduate
- Computational Methods in Modern Physics (Lecturer in charge, Lecturer in charge)
- Computational Methods in Modern Physics (Lecturer in charge)
- Physics (Lecturer in charge)
- Physics (Lecturer in charge)
- Physics 2 (Lecturer in charge)
- Physics 2 (Lecturer in charge)
- Physics of Materials (Lecturer in charge, Lecturer in charge)
- Physics of Materials (Lecturer in charge)
- Project C (Lecturers)
University graduate
- Introduction to Nanoscience (Lecturer in charge)
- Technology of Electrical Materials (Lecturer in charge)
- Master Project (Lecturers)
- Mentored Seminar (Lecturers)
Competences
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Nanotechnology
Bionanotechnology Molecular computing Nanobioscience DNA computing Nanobiotechnology Nanomaterials Nanostructured materials Nanocomposites Nanoporous materials Nanostructures Nanoparticles -
Instrumentation and measurement
Magnetic field measurement Particle measurements Solid scintillation detectors Electron paramagnetic resonance Model checking -
Materials, elements, and compounds
Organic compounds Volatile organic compounds Nanocrystals Inorganic materials Metallic materials Nanostructured materials Organic inorganic hybrid materials Photoconducting materials Biomimetic materials Copper Copper compounds Gold Iron Manganese Nickel Nickel compounds Platinum