We are developing theoretical methods to describe chemistry at large scales with quantum mechanical accuracy. The focus is in particular on solvation phenomena and spectroscopy of condensed phase systems. Our long standing goal is formulation of fragmentation method that goes beyond standard classical ab initio force fields and is applicable to a wide range of problems in material and medicinal chemistry.


Currently, following our fragmentation philosophy, we developed two methods that are applicable for:

  • calculation of vibrational spectra of local IR probes
  • excitonic energy transfer couplings

We are merging the approaches to use in extended systems such as optoelectronics and complex bio-molecular systems. Check out these posts:

Also, see our promoting video: