A quantum chemistry research team led by Dr. Jun Yang from the Department of Chemistry at the University of Hong Kong (HKU) has developed an extensive and widely applicable computational technique using high-level quantum chemistry algorithms to reveal complex electron and energy transfer pathways in photophysical processes. The theoretical methods and computational findings have been published on the flagship journal Chemical Science of the Royal Society of Chemistry, U.K. The quantum chemistry algorithms developed at HKU mark a breakthrough in theoretical and computational research on new emerging mechanisms leading to the next-generation organic photofunctional materials from high-precision large-scale quantum simulations.
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Source: Phys.org