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List of works by Yu Xie

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

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

scientific article published on 01 December 2018

Artificial Thiophdiyne Ultrathin Layer as an Enhanced Solid Electrolyte Interphase for the Aluminum Foil of Dual-Ion Batteries

scientific article published on 24 June 2019

Construction of Vibronic Diabatic Hamiltonian for Excited-State Electron and Energy Transfer Processes.

scientific article published on 27 November 2017

Correction to 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.

scientific article published on 21 November 2017

Delocalized Impurity Phonon Induced Electron-Hole Recombination in Doped Semiconductors.

scientific article published on 2 February 2018

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

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

scientific article published on 01 April 2019

Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface.

scientific article

Photodimerization Kinetics of a Styrylquinoline Derivative in Langmuir–Blodgett Monolayers Monitored by Second Harmonic Generation

Study of the exciton dynamics in perylene bisimide (PBI) aggregates with symmetrical quasiclassical dynamics based on the Meyer-Miller mapping Hamiltonian

scientific article published on 10 August 2020

Ultrafast Excited-State Energy Transfer in DTDCTB Dimers Embedded in a Crystal Environment: Quantum Dynamics with the Multilayer Multiconfigurational Time-Dependent Hartree Method

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