A computational method for description of the intermolecular interactions in excited states.

This project’s goal is to fill the gap in the computational chemistry’s toolbox and developing a method that would describe efficiently and accurately the noncovalent interactions in the excited state. The method will be implemented in a popular package for quantum-chemical computations and then employed for describing systems like perylene and its derivatives, with applications in solar cells, which can help build more efficient solar cells in the future.