- Application of explicitly correlated wave functions to an accurate description of structure and properties of atoms and molecules.
- Development of numerical algorithms related to large scale quantum-chemical calculations.
- Quantum-chemical studies of structure and properties of biomolecules.
- Analysis of high-resolution rotation-vibration spectra.
- Potential energy surfaces for large amplitude vibrations.
- Creating IT tools supporting data analysis.
- Theoretical modeling of biophysicochemical properties of substances of cosmetic and therapeutic importance.