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The Journal of Chemical Physics|October 2, 2021
Multi-state harmonic models with globally shared bath for nonadiabatic dynamics in the condensed phaseZhubin Hu, Dominikus Brian, Xiang SunJournal of Chemical Theory and Computation|March 9, 2021
Linear-Response and Nonlinear-Response Formulations of the Instantaneous Marcus Theory for Nonequilibrium Photoinduced Charge TransferDominikus Brian, Xiang SunThe Journal of Physical Chemistry. B|November 26, 2021
Charge-Transfer Landscape Manifesting the Structure-Rate Relationship in the Condensed Phase <i>Via</i> Machine LearningDominikus Brian, Xiang SunJournal of Chemical Theory and Computation|September 8, 2022
All-Atom Nonadiabatic Semiclassical Mapping Dynamics for Photoinduced Charge Transfer of Organic Photovoltaic Molecules in Explicit SolventsZhubin Hu, Xiang SunThe Journal of Chemical Physics|August 9, 2024
PyCTRAMER: A Python package for charge transfer rate constant of condensed-phase systems from Marcus theory to Fermi's golden ruleZengkui Liu, Dominikus Brian, Xiang SunThe Journal of Physical Chemistry. B|November 3, 2022
Effects of Heterogeneous Protein Environment on Excitation Energy Transfer Dynamics in the Fenna-Matthews-Olson ComplexZhubin Hu, Zengkui Liu, Xiang SunThe Journal of Chemical Physics|December 16, 2021
Forecasting nonadiabatic dynamics using hybrid convolutional neural network/long short-term memory networkDaxin Wu, Zhubin Hu, Jiebo Li, et al.The Journal of Physical Chemistry Letters|October 8, 2021
Structural Reconstruction of Optically Invisible State in a Single Molecule via Scanning Tunneling MicroscopeGuohui Dong, Zhubin Hu, Xiang Sun, et al.The Journal of Chemical Physics|July 9, 2021
Three-state harmonic models for photoinduced charge transferDominikus Brian, Zengkui Liu, Barry D Dunietz, et al.The Journal of Chemical Physics|July 9, 2024
Benchmarking various nonadiabatic semiclassical mapping dynamics methods with tensor-train thermo-field dynamicsZengkui Liu, Ningyi Lyu, Zhubin Hu, et al.Pageof 120