Molecular Electronic Excited States and Their Applications
The group's current research at MSI is ongoing in two areas:
- Developing improved models for the identification of promising donor polymers in organic-based photovoltaic cells. This work extends beyond the "Scharber model” by incorporating information about the relevant electronic excited states. A central question is what properties of a molecule, computable by quantum chemistry, indicate the likelihood of it being useful in photovoltaic cells? This research is being carried out in collaboration with Dr. H.P. Luethi (ETH Zurich).
- Continuing the evaluation and development of high-accuracy coupled-cluster methods to study vibrational Raman optical activity. This research is being carried out in collaboration with Dr. T.D. Crawford (Virginia Tech).
Professor Rollin King