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8 results in Authors: Deping Hu

Theoretical and Computational Chemistry

Working Paper

Nuclear Gradient Expressions for Molecular Cavity Quantum Electrodynamics Simulations using Mixed Quantum-Classical Methods

Wanghuai Zhou, Deping Hu, Arkajit Mandal, Pengfei Huo

Version 1 posted 18 July 2022

261

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Theoretical and Computational Chemistry

Working Paper

Ab initio Spin-Mapping Non-adiabatic Dynamics Simulations of Photochemistry

Braden Weight, Arkajit Mandal, Deping Hu, Pengfei Huo

Version 2 posted 27 June 2024

276

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Theoretical and Computational Chemistry

Working Paper

On-the-fly Symmetrical Quasi-classical Dynamics with Meyer-Miller Mapping Hamiltonian for the Treatment of Nonadiabatic Dynamics at Conical Intersections

Deping Hu, Yu Xie, Jiawei Peng, Zhenggang Lan

Version 2 posted 15 April 2021

615

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Theoretical and Computational Chemistry

Working Paper

Analysis of the Bath Motion in the MM-SQC Dynamics Using Unsupervised Machine Learning Dimensionality Reduction Approaches: Principal Component Analysis

Jiawei Peng, Yu Xie, Deping Hu, Zhenggang Lan

Version 1 posted 07 December 2020

257

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Theoretical and Computational Chemistry

Working Paper

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

Deping Hu, Jiawei Peng, Lipeng Chen, Maxim Gelin, Zhenggang Lan

Version 1 posted 12 August 2021

275

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Theoretical and Computational Chemistry

Working Paper

Ab Initio Molecular Cavity Quantum Electrodynamics Simulations Using Machine Learning Models

Deping Hu, Pengfei Huo

Version 1 posted 02 February 2023

243

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Theoretical and Computational Chemistry

Working Paper

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

Deping Hu, Wenxiang Ying, Pengfei Huo

Version 1 posted 26 October 2023

221

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Theoretical and Computational Chemistry

Working Paper

Trajectory-based Non-adiabatic Simulations of the Polariton Relaxation Dynamics

Deping Hu, Benjamin Chng, Wenxiang Ying, Pengfei Huo

Version 1 posted 01 November 2024

224

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8 results in Deping Hu in Authors: Deping Hu

Nuclear Gradient Expressions for Molecular Cavity Quantum Electrodynamics Simulations using Mixed Quantum-Classical Methods

Ab initio Spin-Mapping Non-adiabatic Dynamics Simulations of Photochemistry

On-the-fly Symmetrical Quasi-classical Dynamics with Meyer-Miller Mapping Hamiltonian for the Treatment of Nonadiabatic Dynamics at Conical Intersections

Analysis of the Bath Motion in the MM-SQC Dynamics Using Unsupervised Machine Learning Dimensionality Reduction Approaches: Principal Component Analysis

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

Ab Initio Molecular Cavity Quantum Electrodynamics Simulations Using Machine Learning Models

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

Trajectory-based Non-adiabatic Simulations of the Polariton Relaxation Dynamics

8 results in Authors: Deping Hu