We have strong interest and capability to perform theoretical and computational research on conjugated polymers and DNA molecules. Our interest is in the luminescence and charge transport characteristics of these macromolecules, and we wish to understand how these electronic processes are correlated with intramolecular vibrational and conformational dynamics. It is important to explain ensemble experiments, single molecule spectroscopy results, and nanoscale conductance data in a consistent manner, and we plan to achieve this goal by combining high level quantum chemistry computations with quanutm master equation theories and nonequilibrium Green function formalism.