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