Theory of Quantum Materials

We are theoreticians based at the Department of Chemical Sciences of the University of Padova. Our research explores aspects of theoretical and computational chemistry, with focus on: 

  • Electronic structure of open-shell systems, especially 3d/4f compounds
  • Rare earth-based molecular magnetism, strong magnetic anisotropy
  • Toroidal moments, spin chirality and magneto-chiral phenomena
  • Ab-initio methods for strongly correlated systems, and strong spin–orbit coupling effects
  • Spin quantum dynamics models
  • Models for magnetic resonance spectroscopies 
  • Models for inelastic neutron scattering experiments

More detailed sections are coming soon.