Igor Schapiro

Igor Schapiro

Senior Lecturer in Theoretical Chemistry
Dr. Igor Schapiro

Our objective is to apply and develop computational tools to understand chemical reactions in organic and biomolecules. On the application side our focus is on light-induced reactions, in particular in chromophore-protein complexes and solvated molecules. For this purpose we employ the QM/MM methodology which allows an accurate and efficient treatment of large systems. On the development side we have an interest in computational tools to support our research on photochemical/photobiological systems. We have contributions to several quantum chemistry packages with emphasis on multiconfigurational wavefunction methods.