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Division of Physics of Disordered Systems

Areas of research: 

  • Development of the density functional theory (DFT) paying special attention to formulas scaling linearly with the size of the system.

  • Development of implicit solvent quantum-continual methods.

  • Modelling quantum and classical electrochemical cell systems and chemical processes occurring with the functionalization of copolymers.

  • Modelling carbon nanostructures.

  • Development of methods to characterize the structure of liquid metals and alloys.

  • Modelling the growth and reorganization of metallic nanolayers.

  • Parameterization of potentials for Al-Cu systems with low copper content. Simulate the process of precipitation hardening in Al-Cu alloys using molecular statics and dynamics methods.