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Dr. Daria M. Tomecka

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  • High-Throughput ab-initio electronic structure calculation software development;
  • Compound semiconductors and their electronic properties →method: HT-DFT;
  • Molecular Magnets; determination of the magnetic and electronic properties of model molecular magnets based on the molecules containing chromium ions; →method: ab-initio electronic structure calculation (Density Functional Theory);
  • 2D Coulomb Clusters, their structural and dynamic properties, in particular, the relation between magic configurations, local and radial melting of subshells and intershell rotation, the configurations in the ground and meta-stable states for various charges, as well as the new melting scenarios; →methods: Molecular Dynamics and Monte Carlo;
  • Critical properties of Ising model in the generalized mean-field approximation; →methods: transfer matrix and renormalization group.


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