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ACS Applied Materials & Interfaces
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January 31, 2022
All-Atom Nonadiabatic Dynamics Simulation of Hybrid Graphene Nanoribbons Based on Wannier Analysis and Machine Learning
Zedong Wang, Jiawei Dong, Jing Qiu, et al.
The Journal of Chemical Physics
|
April 23, 2022
Surface hopping dynamics in periodic solid-state materials with a linear vibronic coupling model
Hua Xie, Xiaoliang Xu, Linjun Wang, et al.
The Journal of Chemical Physics
|
March 2, 2022
Thermally activated intra-chain charge transport in high charge-carrier mobility copolymers
Rishat Dilmurat, Suryoday Prodhan, Linjun Wang, et al.
The Journal of Physical Chemistry Letters
|
August 22, 2023
Learning Decoherence Time Formulas for Surface Hopping from Quantum Dynamics
Cancan Shao, Zhecun Shi, Jiabo Xu, et al.
The Journal of Chemical Physics
|
June 10, 2016
Communication: Proper treatment of classically forbidden electronic transitions significantly improves detailed balance in surface hopping
Andrew E Sifain, Linjun Wang, Oleg V Prezhdo
Nano Letters
|
February 3, 2015
Auger-mediated electron relaxation is robust to deep hole traps: time-domain ab initio study of CdSe quantum dots
Dhara J Trivedi, Linjun Wang, Oleg V Prezhdo
Science Progress
|
July 2, 2020
A new regularization method for dynamic load identification
Linjun Wang, Yang Huang, Youxiang Xie, et al.
The Journal of Physical Chemistry Letters
|
October 14, 2024
Quasi-Diabatization Based on Minimizing Derivative Couplings in a Limited Configuration Space: Elimination of Boundary Condition Dependence
Zhaoyong Li, Chaoqun Zhang, Yifan Shen, et al.
The Journal of Chemical Physics
|
July 5, 2011
Mixed quantum-classical simulations of charge transport in organic materials: numerical benchmark of the Su-Schrieffer-Heeger model
Linjun Wang, David Beljonne, Liping Chen, et al.
Journal of Chemical Theory and Computation
|
August 31, 2024
Multiconfigurational Surface Hopping: a Time-Dependent Variational Approach with Momentum-Jump Trajectories
Guijie Li, Zhecun Shi, Lei Huang, et al.
Page
of 22
Search research articles
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Showing results (51-60 of 217) with videos related to
Sort By:
Page
of 22
ACS Applied Materials & Interfaces
|
January 31, 2022
All-Atom Nonadiabatic Dynamics Simulation of Hybrid Graphene Nanoribbons Based on Wannier Analysis and Machine Learning
Zedong Wang, Jiawei Dong, Jing Qiu, et al.
The Journal of Chemical Physics
|
April 23, 2022
Surface hopping dynamics in periodic solid-state materials with a linear vibronic coupling model
Hua Xie, Xiaoliang Xu, Linjun Wang, et al.
The Journal of Chemical Physics
|
March 2, 2022
Thermally activated intra-chain charge transport in high charge-carrier mobility copolymers
Rishat Dilmurat, Suryoday Prodhan, Linjun Wang, et al.
The Journal of Physical Chemistry Letters
|
August 22, 2023
Learning Decoherence Time Formulas for Surface Hopping from Quantum Dynamics
Cancan Shao, Zhecun Shi, Jiabo Xu, et al.
The Journal of Chemical Physics
|
June 10, 2016
Communication: Proper treatment of classically forbidden electronic transitions significantly improves detailed balance in surface hopping
Andrew E Sifain, Linjun Wang, Oleg V Prezhdo
Nano Letters
|
February 3, 2015
Auger-mediated electron relaxation is robust to deep hole traps: time-domain ab initio study of CdSe quantum dots
Dhara J Trivedi, Linjun Wang, Oleg V Prezhdo
Science Progress
|
July 2, 2020
A new regularization method for dynamic load identification
Linjun Wang, Yang Huang, Youxiang Xie, et al.
The Journal of Physical Chemistry Letters
|
October 14, 2024
Quasi-Diabatization Based on Minimizing Derivative Couplings in a Limited Configuration Space: Elimination of Boundary Condition Dependence
Zhaoyong Li, Chaoqun Zhang, Yifan Shen, et al.
The Journal of Chemical Physics
|
July 5, 2011
Mixed quantum-classical simulations of charge transport in organic materials: numerical benchmark of the Su-Schrieffer-Heeger model
Linjun Wang, David Beljonne, Liping Chen, et al.
Journal of Chemical Theory and Computation
|
August 31, 2024
Multiconfigurational Surface Hopping: a Time-Dependent Variational Approach with Momentum-Jump Trajectories
Guijie Li, Zhecun Shi, Lei Huang, et al.
Page
of 22