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List of works by Deping Hu

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

scientific article published on 19 January 2017

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

scientific article published on September 2017

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

scientific article published on 10 May 2018

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

scientific article published on 12 July 2017

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

scientific article published in 2022

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

scientific article published on 24 May 2021

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

scientific article

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

scientific article published on 21 November 2014

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

scientific article published on 01 October 2018

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