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Journal of Chemical Theory and Computation
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May 7, 2026
Transfer Learning Meets Embedded Correlated Wavefunction Theory for Chemically Accurate Molecular Simulations: Application to Calcium Carbonate Ion Pairing
Xuezhi Bian, Emily A Carter
The Journal of Physical Chemistry Letters
|
March 20, 2024
Spin-Dependent Stereochemistry: A Nonadiabatic Quantum Dynamics Case Study of S + H<sub>2</sub> → SH + H Reaction
Xuezhi Bian, Joseph E Subotnik
Journal of Chemical Theory and Computation
|
July 25, 2024
Angular Momentum Transfer between a Molecular System and a Continuous Circularly Polarized Light Field within a Semiclassical Born-Oppenheimer Surface Hopping Framework
Xuezhi Bian, Joseph E Subotnik
The Journal of Chemical Physics
|
May 18, 2026
Electron transfer, diabatic couplings, and vibronic energy gaps in a phase space electronic structure framework
Zain Zaidi, Xuezhi Bian, Joseph E Subotnik
The Journal of Chemical Physics
|
September 23, 2020
A "backtracking" correction for the fewest switches surface hopping algorithm
Gaohan Miao, Xuezhi Bian, Zeyu Zhou, et al.
The Journal of Chemical Physics
|
June 4, 2024
A fast and smooth one-electron approach for investigating charge transfer states and D1-D0 crossings for systems with odd numbers of electrons
Tian Qiu, Xuezhi Bian, Zhen Tao, et al.
The Journal of Chemical Physics
|
June 22, 2022
On the meaning of Berry force for unrestricted systems treated with mean-field electronic structure
Xuezhi Bian, Tian Qiu, Junhan Chen, et al.
Journal of Chemical Theory and Computation
|
January 19, 2023
Nonadiabatic Dynamics in a Continuous Circularly Polarized Laser Field with Floquet Phase-Space Surface Hopping
Zeyu Zhou, Yanze Wu, Xuezhi Bian, et al.
The Journal of Chemical Physics
|
December 1, 2023
Erratum: "On the meaning of Berry force for unrestricted systems treated with mean-field electronic structure" [J. Chem. Phys. 156, 234107 (2022)]
Xuezhi Bian, Tian Qiu, Junhan Chen, et al.
Journal of Chemical Theory and Computation
|
March 9, 2022
Incorporating Berry Force Effects into the Fewest Switches Surface-Hopping Algorithm: Intersystem Crossing and the Case of Electronic Degeneracy
Xuezhi Bian, Yanze Wu, Hung-Hsuan Teh, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 28) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
May 7, 2026
Transfer Learning Meets Embedded Correlated Wavefunction Theory for Chemically Accurate Molecular Simulations: Application to Calcium Carbonate Ion Pairing
Xuezhi Bian, Emily A Carter
The Journal of Physical Chemistry Letters
|
March 20, 2024
Spin-Dependent Stereochemistry: A Nonadiabatic Quantum Dynamics Case Study of S + H<sub>2</sub> → SH + H Reaction
Xuezhi Bian, Joseph E Subotnik
Journal of Chemical Theory and Computation
|
July 25, 2024
Angular Momentum Transfer between a Molecular System and a Continuous Circularly Polarized Light Field within a Semiclassical Born-Oppenheimer Surface Hopping Framework
Xuezhi Bian, Joseph E Subotnik
The Journal of Chemical Physics
|
May 18, 2026
Electron transfer, diabatic couplings, and vibronic energy gaps in a phase space electronic structure framework
Zain Zaidi, Xuezhi Bian, Joseph E Subotnik
The Journal of Chemical Physics
|
September 23, 2020
A "backtracking" correction for the fewest switches surface hopping algorithm
Gaohan Miao, Xuezhi Bian, Zeyu Zhou, et al.
The Journal of Chemical Physics
|
June 4, 2024
A fast and smooth one-electron approach for investigating charge transfer states and D1-D0 crossings for systems with odd numbers of electrons
Tian Qiu, Xuezhi Bian, Zhen Tao, et al.
The Journal of Chemical Physics
|
June 22, 2022
On the meaning of Berry force for unrestricted systems treated with mean-field electronic structure
Xuezhi Bian, Tian Qiu, Junhan Chen, et al.
Journal of Chemical Theory and Computation
|
January 19, 2023
Nonadiabatic Dynamics in a Continuous Circularly Polarized Laser Field with Floquet Phase-Space Surface Hopping
Zeyu Zhou, Yanze Wu, Xuezhi Bian, et al.
The Journal of Chemical Physics
|
December 1, 2023
Erratum: "On the meaning of Berry force for unrestricted systems treated with mean-field electronic structure" [J. Chem. Phys. 156, 234107 (2022)]
Xuezhi Bian, Tian Qiu, Junhan Chen, et al.
Journal of Chemical Theory and Computation
|
March 9, 2022
Incorporating Berry Force Effects into the Fewest Switches Surface-Hopping Algorithm: Intersystem Crossing and the Case of Electronic Degeneracy
Xuezhi Bian, Yanze Wu, Hung-Hsuan Teh, et al.
Page
of 3