معرفی
Barry D. Dunietz is an Associate Professor of Chemistry at Kent State University, specializing in electronic structure modeling and quantum chemistry. His research focuses on excited state dynamics, charge transport, and optoelectronic devices such as solar cells and organic light-emitting diodes (OLEDs). He also explores energy transfer mechanisms in natural photosynthetic systems and nanotechnology applications like molecular conductance.
Education: Ph.D. in Chemistry from Columbia University (2000). Dunietz's work is funded by agencies such as the Department of Energy (DOE) and the National Science Foundation (NSF). His group collaborates closely with experimentalists to bridge theoretical insights with practical applications in materials science.
Research interests include developing advanced computational methods (e.g., time-dependent density functional theory) to study molecular systems under non-equilibrium conditions. Key areas of investigation are charge transfer dynamics at organic interfaces, molecular conductance predictions using hybrid functionals, and designing materials for improved optoelectronic performance.
Publications span over 60 peer-reviewed articles, with recent work addressing triplet excitations in biological systems, computational modeling of photovoltaic interfaces, and novel approaches to enhance charge mobilities in semiconductors. His group's tools, such as the CTRAMER software package, enable correlating molecular structures with charge transfer rates in organic materials.
Advising includes current graduate students Roshan Khatri, Aswathy Jayachandran, and Abhishek Bagale, along with former students now in academic and industrial roles. Dunietz’s lab is equipped to tackle interdisciplinary challenges at the molecular-scale, combining theory with experimental validation to advance energy conversion technologies and molecular-level understanding of complex systems.
