Regular biography
Troy Van Voorhis is a Professor in the Department of Chemistry at the Massachusetts Institute of Technology. His research focuses on developing new methods, primarily based on density functional theory (DFT), to accurately describe excited electron motion in molecular systems. His work addresses electron transfer dynamics, solar energy harvesting, molecular electronics, and method development for simulating complex chemical processes. Van Voorhis's group investigates the mechanisms of electron transfer reactions, charge recombination in organic photovoltaic materials, and the formation of O-O bonds in artificial water-splitting catalysts. His research also explores the use of real-time dynamics to study non-equilibrium current-voltage characteristics in molecular wires and junctions.
Scholar-generated biography
Troy Van Voorhis is a researcher in Physical Chemistry with expertise in Electronic Structure, Theoretical Chemistry, Molecular Dynamics, and Solar Energy Conversion. His work focuses on advancing quantum chemistry methods and their applications in materials science and energy technologies. He has contributed to the development of quantum chemistry software packages such as Q-Chem and NWChem, emphasizing high-performance computational tools for electronic structure calculations. His research includes studies on singlet-exciton-fission, charge transfer dynamics, and nonlocal van der Waals functionals, with applications in organic photovoltaics and molecular electronics. Van Voorhis's work bridges theoretical and experimental approaches to address challenges in energy conversion and molecular design.