Professor Rollin King

Project Title: 
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).

Project Investigators

Professor Rollin King
Nathan Love
Megan Niblock
 
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