Deping Hu

发表

Treatment of Nonadiabatic Dynamics by On-The-Fly Trajectory Surface Hopping Dynamics

Yu Xie, Z. Lan, Likai Du, 2019, Acta Physico-Chimica Sinica.

Prediction of the excited-state reaction channels in photo-induced processes of nitrofurantoin using first-principle calculations and dynamics simulations.

Z. Lan, F. Gu, Chao Xu, 2021, Chemosphere.

Ultrafast Internal Conversion Dynamics through the on-the-Fly Simulation of Transient Absorption Pump-Probe Spectra with Different Electronic Structure Methods.

Z. Lan, F. Gu, M. Gelin, 2021, The journal of physical chemistry letters.

Spectral Fingerprint of Excited-State Energy Transfer in Dendrimers through Polarization-Sensitive Transient-Absorption Pump-Probe Signals: On-the-Fly Nonadiabatic Dynamics Simulations.

D. Hu, Z. Lan, Lipeng Chen, 2021, The journal of physical chemistry letters.

Ultrafast unidirectional chiral rotation in the Z-E photoisomerization of two azoheteroarene photoswitches.

Xiu-xing Zhang, Fuli Li, Z. Lan, 2018, Physical chemistry chemical physics : PCCP.

Nonadiabatic dynamics and photoisomerization of biomimetic photoswitches

Yu Xie, Z. Lan, L. Yue, 2015 .

Theoretical analysis of excited states and energy transfer mechanism in conjugated dendrimers

Jing Huang, Likai Du, Deping Hu, 2015, J. Comput. Chem..

Computational Investigation of Acene-Modified Zinc-Porphyrin Based Sensitizers for Dye-Sensitized Solar Cells

Jin Zhao, Hao Sun, D. Hu, 2015 .

Performance of trajectory surface hopping method in the treatment of ultrafast intersystem crossing dynamics.

Yu Xie, Z. Lan, Jiawei Peng, 2018, The Journal of chemical physics.

Analysis of trajectory similarity and configuration similarity in on-the-fly surface-hopping simulation on multi-channel nonadiabatic photoisomerization dynamics.

Deping Hu, Zhenggang Lan, Yu Xie, 2018, The Journal of chemical physics.

On-the-Fly Symmetrical Quasi-Classical Dynamics with Meyer-Miller Mapping Hamiltonian for the Treatment of Nonadiabatic Dynamics at Conical Intersections.

D. Hu, Yu Xie, Z. Lan, 2020, Journal of chemical theory and computation.

Ab Initio Molecular Cavity Quantum Electrodynamics Simulations Using Machine Learning Models

P. Huo, Deping Hu, 2023, Journal of chemical theory and computation.

"Watching" the Dark State in Ultrafast Nonadiabatic Photoisomerization Process of a Light-Driven Molecular Rotary Motor.

Fuli Li, Z. Lan, Chenwei Jiang, 2017, The journal of physical chemistry. A.

Nonadiabatic dynamics simulation of keto isocytosine: a comparison of dynamical performance of different electronic-structure methods.

D. Hu, Z. Lan, A. Sobolewski, 2017, Physical chemistry chemical physics : PCCP.

Inclusion of Machine Learning Kernel Ridge Regression Potential Energy Surfaces in On-the-Fly Nonadiabatic Molecular Dynamics Simulation.

Deping Hu, Zhenggang Lan, Yu Xie, 2018, The journal of physical chemistry letters.

Analysis of the Geometrical Evolution in On-the-Fly Surface-Hopping Nonadiabatic Dynamics with Machine Learning Dimensionality Reduction Approaches: Classical Multidimensional Scaling and Isometric Feature Mapping.

Deping Hu, Zhenggang Lan, Yu Xie, 2017, Journal of chemical theory and computation.

Investigation of nonadiabatic dynamics in the photolysis of methyl nitrate (CH3ONO2) by on-the-fly surface hopping simulation.

Z. Lan, Jiawei Peng, Deping Hu, 2021, Physical chemistry chemical physics : PCCP.

Heavy‐Atom‐Free Room‐Temperature Phosphorescent Rylene Imide for High‐Performing Organic Photovoltaics

T. Zhai, Xinping Zhang, Jianhui Hou, 2021, Advanced science.

The behavior of hydroxide and hydronium ions at the hexadecane-water interface studied with second harmonic generation and zeta potential measurements.

Deping Hu, Zhenggang Lan, Wei Gan, 2017, Soft matter.

Theoretical analysis of excited states and energy transfer mechanism in conjugated dendrimers

Jing Huang, Likai Du, Deping Hu, 2015, J. Comput. Chem..

Erratum: Theoretical analysis of excited states and energy transfer mechanism in conjugated dendrimers

Jing Huang, Likai Du, Deping Hu, 2015, J. Comput. Chem..

Theoretical Insight Into the Ultralong Room-Temperature Phosphorescence of Nonplanar Aromatic Hydrocarbon

Huifang Shi, Zhongfu An, Huili Ma, 2021, Frontiers in Chemistry.

Quasi-diabatic propagation scheme for simulating polariton chemistry.

P. Huo, Arkajit Mandal, Braden M. Weight, 2022, The Journal of chemical physics.

Nuclear gradient expressions for molecular cavity quantum electrodynamics simulations using mixed quantum-classical methods.

P. Huo, Wanghuai Zhou, Arkajit Mandal, 2022, The Journal of chemical physics.

"Watching" the Dark State in Ultrafast Nonadiabatic Photoisomerization Process of a Light-Driven Molecular Rotary Motor.

Fuli Li, Z. Lan, Chenwei Jiang, 2017, The journal of physical chemistry. A.

Resonance Enhancement of Vibrational Polariton Chemistry Obtained from the Mixed Quantum-Classical Dynamics Simulations

P. Huo, Deping Hu, Wenxiang Ying, 2023, The journal of physical chemistry letters.

Studies of nonadiabatic dynamics in the singlet fission processes of pentacene dimer via tensor network method.

Hong Liu, Jiawei Peng, Deping Hu, 2023, The Journal of chemical physics.

Studies of Nonadiabatic Dynamics in the Singlet Fission Processes of Pentacene Dimer via Tensor Train Decomposition Method

Qiang Shi, Z. Lan, Peng Bao, 2023, 2308.16392.