Search

Theoretical and Computational Chemistry

Working Paper

The Impact of the Different Geometrical Restrictions on the Nonadiabatic Photoisomerization of Biliverdin Chromophore

Yuan Fang, Haiyi Huang, Kunni Lin, Chao Xu, FengLong Gu, Zhenggang Lan

Version 1 posted 30 June 2022

126

Downloads

Physical Chemistry

Working Paper

The simulation of the femtosecond transient absorption pump-probe spectroscopy under the framework of on-the-fly symmetrical quasi-classical/Meyer-Miller dynamics

Zhaofa Li, Jiawei Peng, Yifei Zhu, Chao Xu, Maxim F. Gelin, Feng Long Gu, Zhenggang Lan

Version 1 posted 12 December 2024

95

Downloads

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

630

Downloads

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

288

Downloads

Theoretical and Computational Chemistry

Working Paper

On-the-Fly Nonadiabatic Dynamics of Caffeic Acid Sunscreen Compound

Xu Kang, Yifei Zhu, Juanjuan Zhang, Chao Xu, Zhenggang Lan

Version 1 posted 17 November 2022

142

Downloads

1

Citations

Theoretical and Computational Chemistry

Working Paper

The Principal Component Analysis of the Ring Deformation in the Nonadiabatic Surface Hopping Dynamics

Yifei Zhu, Jiawei Peng, Xu Kang, Chao Xu, Zhenggang Lan

Version 1 posted 29 June 2022

184

Downloads

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

267

Downloads

Theoretical and Computational Chemistry

Review

Significant Impact of Deprotonated Status on the Photoisomerization Dynamics of Bacteriophytochrome Chromophore

Haiyi Huang, Chao Xu, Kunni Lin, Jiawei Peng, Feng Long Gu, Zhenggang Lan

Version 1 posted 23 May 2022

210

Downloads

2

Citations

Theoretical and Computational Chemistry

Working Paper

The Development of the QM/MM Interface and Its Application for the on-the-fly QM/MM Nonadiabatic Dynamics in JADE Package: Theory, Implementation and Applications

Haiyi Huang, Jiawei Peng, Feng Long Gu, Zhenggang Lan, Chao Xu

Version 1 posted 18 March 2024

278

Downloads

Refine Search

9 results in Zhenggang Lan in Authors: Zhenggang Lan

The Impact of the Different Geometrical Restrictions on the Nonadiabatic Photoisomerization of Biliverdin Chromophore

The simulation of the femtosecond transient absorption pump-probe spectroscopy under the framework of on-the-fly symmetrical quasi-classical/Meyer-Miller dynamics

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

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

On-the-Fly Nonadiabatic Dynamics of Caffeic Acid Sunscreen Compound

The Principal Component Analysis of the Ring Deformation in the Nonadiabatic Surface Hopping Dynamics

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

Significant Impact of Deprotonated Status on the Photoisomerization Dynamics of Bacteriophytochrome Chromophore

The Development of the QM/MM Interface and Its Application for the on-the-fly QM/MM Nonadiabatic Dynamics in JADE Package: Theory, Implementation and Applications

9 results in Authors: Zhenggang Lan