Permanent magnets

  • magnetic phase prediction by genetic algorithms,

  • energy product and coercivity field of magnetic materials,

  • determination of the Curie (transition) temperature,

  • modeling and design of magnetostrictive materials for sensors and actuators.

Nuclear Fusion and Fission Materials

  • determination of temperature stability of solid-liquid phases (eutectics/peritectics),

  • thermal expansion and temperature of melting,

  • heat transfer (thermal conductivity),

  • determination of miscibility-immiscibility threshold in alloys,

  • modeling of 1st wall materials for thermonuclear reactors.

2D materials

  • permeability control by membrane design (graphene etc.),

  • mechanical properties (hardness, elasticity, ductility vs brittleness),

  • surface modification to increase efficiency of catalysis,

  • design and tunability of superhard coatings.


Energy related materials

  • determination of Li-, Na- based battery materials quantities (gravimetric/volume capacity, etc.),

  • figure of merit of thermoelectric materials,

  • tuning of the adiabatic temperature change for magnetocaloric materials.