Topics

We intend to address the following topics:

• Recent developments to bridge between highly accurate electronic calculations and large-scale atomistic thermodynamic and kinetic simulations for thermodynamics and phase transformation in alloys by fully taking into account magnetic, electronic and lattice excitations.
• Current attempts to improve the understanding of magnetic materials including the microstructure formation and chemical decomposition in relation to the peculiarities of electronic structure.
• Ab-initio calculations of electronic, magnetic and transport properties of topological insulators, Dirac and Weyl nodal-line semimetals, and topological metals.
• Recent progress in ab initio methods to treat materials with strong spin-orbit coupling such as those based on 4d-5d transition metals including systems with strongly anisotropic exchange interaction, spin-orbit Mott insulators, cluster Mott-Hubbard magnets and others.