Browsing by Author "Tong, Zhengqing"

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CTRAMER: An open-source software package for correlating interfacial charge transfer rate constants with donor/acceptor geometries in organic photovoltaic materials

Tinnin, Jacob; Aksu, Huseyin; Tong, Zhengqing; Zhang, Pengzhi; Geva, Eitan; Dunietz, Barry D.; Sun, Xiang (American Institute of Physics Inc., 2021)

In this paper, we present CTRAMER (Charge-Transfer RAtes from Molecular dynamics, Electronic structure, and Rate theory)-an open-source software package for calculating interfacial charge-transfer (CT) rate constants in ...