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Journal of Chemical Theory and Computation
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November 7, 2024
Exact-Two-Component Complete Active Space Method with Variational Treatment of Magnetic Field and Spin-Orbit Coupling: Application to X-ray Magnetic Circular Dichroism Spectroscopy
Diandong Tang, Shichao Sun, Xiaosong Li
Physical Chemistry Chemical Physics : PCCP
|
June 18, 2021
Evaluation of mixed quantum-classical molecular dynamics on <i>cis</i>-azobenzene photoisomerization
Diandong Tang, Lin Shen, Wei-Hai Fang
Physical Chemistry Chemical Physics : PCCP
|
July 25, 2019
Combining Meyer-Miller Hamiltonian with electronic structure methods for on-the-fly nonadiabatic dynamics simulations: implementation and application
Diandong Tang, Wei-Hai Fang, Lin Shen, et al.
The Journal of Physical Chemistry Letters
|
August 27, 2025
Influence of Additional Gaussian Noises on Mixed Quantum-Classical Nonadiabatic Dynamics Simulations of Photoisomerization of <i>cis</i>-Azobenzene
Zihan He, Diandong Tang, Lin Shen, et al.
The Journal of Physical Chemistry Letters
|
November 1, 2022
Fewest-Switches Surface Hopping with Long Short-Term Memory Networks
Diandong Tang, Luyang Jia, Lin Shen, et al.
The Journal of Physical Chemistry. A
|
August 3, 2019
Quantum Trajectory Mean-Field Method for Nonadiabatic Dynamics in Photochemistry
Lin Shen, Diandong Tang, Binbin Xie, et al.
Journal of Chemical Theory and Computation
|
May 28, 2026
Fewest-Switches Surface Hopping with Combined Deep Learning Potential and Long Short-Term Memory Network Propagator for Simulating Realistic Photochemical Processes
Zhenxing Zhu, Diandong Tang, Lin Shen, et al.
Journal of Chemical Theory and Computation
|
April 18, 2025
Simulating Magnetic Field-Driven Real-Time Quantum Dynamics Using London Nuclear-Electronic Orbital Approach
Diandong Tang, Aodong Liu, Tanner Culpitt, et al.
The Journal of Physical Chemistry Letters
|
April 8, 2025
Photochemical Au(I)-Au(I) Bond Formation: A Battle between Intersystem Crossing and Internal Conversion
Diandong Tang, Can Liao, Maxwell Taub, et al.
Journal of Chemical Theory and Computation
|
September 3, 2024
Accelerating Relativistic Exact-Two-Component Density Functional Theory Calculations with Graphical Processing Units
Mikael Kovtun, Eleftherios Lambros, Aodong Liu, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
November 7, 2024
Exact-Two-Component Complete Active Space Method with Variational Treatment of Magnetic Field and Spin-Orbit Coupling: Application to X-ray Magnetic Circular Dichroism Spectroscopy
Diandong Tang, Shichao Sun, Xiaosong Li
Physical Chemistry Chemical Physics : PCCP
|
June 18, 2021
Evaluation of mixed quantum-classical molecular dynamics on <i>cis</i>-azobenzene photoisomerization
Diandong Tang, Lin Shen, Wei-Hai Fang
Physical Chemistry Chemical Physics : PCCP
|
July 25, 2019
Combining Meyer-Miller Hamiltonian with electronic structure methods for on-the-fly nonadiabatic dynamics simulations: implementation and application
Diandong Tang, Wei-Hai Fang, Lin Shen, et al.
The Journal of Physical Chemistry Letters
|
August 27, 2025
Influence of Additional Gaussian Noises on Mixed Quantum-Classical Nonadiabatic Dynamics Simulations of Photoisomerization of <i>cis</i>-Azobenzene
Zihan He, Diandong Tang, Lin Shen, et al.
The Journal of Physical Chemistry Letters
|
November 1, 2022
Fewest-Switches Surface Hopping with Long Short-Term Memory Networks
Diandong Tang, Luyang Jia, Lin Shen, et al.
The Journal of Physical Chemistry. A
|
August 3, 2019
Quantum Trajectory Mean-Field Method for Nonadiabatic Dynamics in Photochemistry
Lin Shen, Diandong Tang, Binbin Xie, et al.
Journal of Chemical Theory and Computation
|
May 28, 2026
Fewest-Switches Surface Hopping with Combined Deep Learning Potential and Long Short-Term Memory Network Propagator for Simulating Realistic Photochemical Processes
Zhenxing Zhu, Diandong Tang, Lin Shen, et al.
Journal of Chemical Theory and Computation
|
April 18, 2025
Simulating Magnetic Field-Driven Real-Time Quantum Dynamics Using London Nuclear-Electronic Orbital Approach
Diandong Tang, Aodong Liu, Tanner Culpitt, et al.
The Journal of Physical Chemistry Letters
|
April 8, 2025
Photochemical Au(I)-Au(I) Bond Formation: A Battle between Intersystem Crossing and Internal Conversion
Diandong Tang, Can Liao, Maxwell Taub, et al.
Journal of Chemical Theory and Computation
|
September 3, 2024
Accelerating Relativistic Exact-Two-Component Density Functional Theory Calculations with Graphical Processing Units
Mikael Kovtun, Eleftherios Lambros, Aodong Liu, et al.
Page
of 2