This project focuses on the electronic and magnetic properties of transition-metal compounds, with particular emphasis on NiO, NiS, magnetic spinel oxides, and selected magnetic materials identified through data mining. For NiO, the main objective is to understand how short-range antiferromagnetic correlations evolve across the Néel temperature and how they affect the electronic structure. Magnetic exchange interactions will be obtained from first-principles calculations and used in Monte Carlo and atomistic spin-dynamics simulations. Representative finite-temperature magnetic configurations will then be studied using DFT+U. Selected NiO calculations will also be carried out within DFT+DMFT to examine dynamical correlation effects beyond DFT+U. For NiS, the relation between magnetic interactions, electronic correlations, and the coupled magnetic and structural transition will be studied. Exchange interactions calculated for different structural and magnetic states will be used in finite-temperature magnetic and spin-lattice simulations. The project also includes NiFe2O4/ZnFe2O4 heterostructures. Structural relaxation, interface-induced changes in electronic and magnetic properties, and selected surface adsorption configurations will be investigated. Another part of the project concerns Gilbert damping in magnetic compounds selected from data-mining studies. For each material, the damping tensor will be calculated from the electronic structure including spin-orbit coupling. The damping will be evaluated for a range of electronic broadening parameters to study its dependence on the quasiparticle lifetime and effective scattering strength. These calculations require careful convergence with respect to Brillouin-zone sampling. The project combines DFT, DFT+U, magnetic exchange calculations, DFT+DMFT, Gilbert-damping calculations, Monte Carlo simulations, and atomistic spin dynamics. Large magnetic supercells, interface structures, correlated-electron calculations, and repeated damping calculations require access to parallel computing resources.