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

Learn the latest news from the lab.