lab
Laboratory of Digital Material Science
The laboratory solves a wide range of problems in the field of materials science using quantum-chemical atomistic simulation methods. Laboratory works on the physical properties of various promising nanostructures.
Activities of the Laboratory
In particular, the laboratory carries out research in the following fields:
- research on the formation of nanostructures at the atomic level;
- thermodynamic and kinetic description of surface reactions;
- simulation of magnetic and electronic properties of nanostructures;
- study of materials for spintronics;
- application of machine learning methods for description of physical and chemical processes;
- simulation of biological molecules, drug delivery processes;
- simulation of water purification from organic pollutants
