CAREER: Synergistic theory development and computational modeling of the energy flow dynamics in soft optoelctronic molecules

Cuny Queens College, Flushing NY

Investigators

Abstract

Seogjoo Jang of the City University of New York Queens College is supported by an award from the Theoretical and Computational Chemistry program to carry out research on the development of computational methods for energy flow dynamics in soft optoelectronic molecular systems. The research focuses on three factors: (1) electronic quantum coherence involving multiple excited states or sites; (2) coupling of electronic excitation to nuclear vibrational dynamics; and (3) disorder and stochastic fluctuations in the structure or energetics of molecules. For certain conjugated oligomer systems, coarse-grained models are being constructed in order to study energy flow dynamics and to model spectroscopic signals. The work is having a broader impact through the development of methods that may lead to new optical, electronic and sensor devices. It is having a further impact on students at the graduate, undergraduate and high school level in the New York metropolitan area through workshops and seminar series that Jang is developing in conjunction with his research.