Deping Hu

Affiliations: 
Tsinghua University 
Area:
Nonadiabatic dynamics, Machine learning, OLED
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"Deping Hu"
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Publications

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Xu C, Lin K, Hu D, et al. (2022) Ultrafast Internal Conversion Dynamics through the on-the-Fly Simulation of Transient Absorption Pump-Probe Spectra with Different Electronic Structure Methods. The Journal of Physical Chemistry Letters. 13: 661-668
Hu D, Peng J, Chen L, et al. (2021) Spectral Fingerprint of Excited-State Energy Transfer in Dendrimers through Polarization-Sensitive Transient-Absorption Pump-Probe Signals: On-the-Fly Nonadiabatic Dynamics Simulations. The Journal of Physical Chemistry Letters. 9710-9719
Zhang J, Peng J, Hu D, et al. (2021) Investigation of nonadiabatic dynamics in the photolysis of methyl nitrate (CHONO) by on-the-fly surface hopping simulation. Physical Chemistry Chemical Physics : Pccp
Lin K, Hu D, Peng J, et al. (2021) Prediction of the excited-state reaction channels in photo-induced processes of nitrofurantoin using first-principle calculations and dynamics simulations. Chemosphere. 281: 130831
Hu D, Xie Y, Peng J, et al. (2021) On-the-Fly Symmetrical Quasi-Classical Dynamics with Meyer-Miller Mapping Hamiltonian for the Treatment of Nonadiabatic Dynamics at Conical Intersections. Journal of Chemical Theory and Computation
Peng J, Xie Y, Hu D, et al. (2021) Analysis of bath motion in MM-SQC dynamics via dimensionality reduction approach: Principal component analysis. The Journal of Chemical Physics. 154: 094122
Peng J, Xie Y, Hu D, et al. (2019) Performance of trajectory surface hopping method in the treatment of ultrafast intersystem crossing dynamics. The Journal of Chemical Physics. 150: 164126
Li X, Hu D, Xie Y, et al. (2018) Analysis of trajectory similarity and configuration similarity in on-the-fly surface-hopping simulation on multi-channel nonadiabatic photoisomerization dynamics. The Journal of Chemical Physics. 149: 244104
Pang X, Jiang C, Qi Y, et al. (2018) Ultrafast unidirectional chiral rotation in the Z-E photoisomerization of two azoheteroarene photoswitches. Physical Chemistry Chemical Physics : Pccp
Hu D, Xie Y, Li X, et al. (2018) The Inclusion of Machine Learning Kernel Ridge Regression Potential Energy Surfaces in On-the-Fly Nonadiabatic Molecular Dynamics Simulation. The Journal of Physical Chemistry Letters
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