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Yinan Shu

Showing results (41-50 of 59) with videos related to

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Journal of Chemical Theory and Computation|May 13, 2026
Dynamics of Electronically Inelastic and Reactive Collisions of O(<sup>1</sup>D) with N<sub>2</sub> Based on Machine-Learned Coupled Potential Energy SurfacesQinghui Meng, Yinan Shu, Zoltan Varga, et al.
The Journal of Physical Chemistry. A|June 12, 2023
Parametrically Managed Activation Function for Fitting a Neural Network Potential with Physical Behavior Enforced by a Low-Dimensional PotentialFarideh Badichi Akher, Yinan Shu, Zoltan Varga, et al.
Journal of Chemical Theory and Computation|February 1, 2022
Nonadiabatic Dynamics Algorithms with Only Potential Energies and Gradients: Curvature-Driven Coherent Switching with Decay of Mixing and Curvature-Driven Trajectory Surface HoppingYinan Shu, Linyao Zhang, Xiye Chen, et al.
Journal of Chemical Theory and Computation|April 7, 2020
Implementation of Coherent Switching with Decay of Mixing into the SHARC ProgramYinan Shu, Linyao Zhang, Sebastian Mai, et al.
Journal of Chemical Theory and Computation|April 20, 2023
New Gradient Correction Scheme for Electronically Nonadiabatic Dynamics Involving Multiple Spin StatesYinan Shu, Linyao Zhang, Dihua Wu, et al.
The Journal of Chemical Physics|March 9, 2021
CAS without SCF-Why to use CASCI and where to get the orbitalsBenjamin G Levine, Andrew S Durden, Michael P Esch, et al.
Journal of Chemical Theory and Computation|January 6, 2021
Permutationally Restrained Diabatization by Machine IntelligenceYinan Shu, Zoltan Varga, Antonio Gustavo Sampaio de Oliveira-Filho, et al.
The Journal of Physical Chemistry. A|March 20, 2025
Improvement of Fourteen Coupled Global Potential Energy Surfaces of <sup>3</sup><i>A'</i> States of O + O<sub>2</sub>Xiaorui Zhao, Yinan Shu, Qinghui Meng, et al.
The Journal of Physical Chemistry. A|October 15, 2014
Polyatomic molecules under intense femtosecond laser irradiationArkaprabha Konar, Yinan Shu, Vadim V Lozovoy, et al.
Journal of Chemical Theory and Computation|May 17, 2022
Recommendation of Orbitals for <i>G</i><sub>0</sub><i>W</i><sub>0</sub> Calculations on Molecules and CrystalsLinyao Zhang, Yinan Shu, Chang Xing, et al.
Pageof 6

Showing results (41-50 of 59) with videos related to

Sort By:
Pageof 6
Journal of Chemical Theory and Computation|May 13, 2026
Dynamics of Electronically Inelastic and Reactive Collisions of O(<sup>1</sup>D) with N<sub>2</sub> Based on Machine-Learned Coupled Potential Energy SurfacesQinghui Meng, Yinan Shu, Zoltan Varga, et al.
The Journal of Physical Chemistry. A|June 12, 2023
Parametrically Managed Activation Function for Fitting a Neural Network Potential with Physical Behavior Enforced by a Low-Dimensional PotentialFarideh Badichi Akher, Yinan Shu, Zoltan Varga, et al.
Journal of Chemical Theory and Computation|February 1, 2022
Nonadiabatic Dynamics Algorithms with Only Potential Energies and Gradients: Curvature-Driven Coherent Switching with Decay of Mixing and Curvature-Driven Trajectory Surface HoppingYinan Shu, Linyao Zhang, Xiye Chen, et al.
Journal of Chemical Theory and Computation|April 7, 2020
Implementation of Coherent Switching with Decay of Mixing into the SHARC ProgramYinan Shu, Linyao Zhang, Sebastian Mai, et al.
Journal of Chemical Theory and Computation|April 20, 2023
New Gradient Correction Scheme for Electronically Nonadiabatic Dynamics Involving Multiple Spin StatesYinan Shu, Linyao Zhang, Dihua Wu, et al.
The Journal of Chemical Physics|March 9, 2021
CAS without SCF-Why to use CASCI and where to get the orbitalsBenjamin G Levine, Andrew S Durden, Michael P Esch, et al.
Journal of Chemical Theory and Computation|January 6, 2021
Permutationally Restrained Diabatization by Machine IntelligenceYinan Shu, Zoltan Varga, Antonio Gustavo Sampaio de Oliveira-Filho, et al.
The Journal of Physical Chemistry. A|March 20, 2025
Improvement of Fourteen Coupled Global Potential Energy Surfaces of <sup>3</sup><i>A'</i> States of O + O<sub>2</sub>Xiaorui Zhao, Yinan Shu, Qinghui Meng, et al.
The Journal of Physical Chemistry. A|October 15, 2014
Polyatomic molecules under intense femtosecond laser irradiationArkaprabha Konar, Yinan Shu, Vadim V Lozovoy, et al.
Journal of Chemical Theory and Computation|May 17, 2022
Recommendation of Orbitals for <i>G</i><sub>0</sub><i>W</i><sub>0</sub> Calculations on Molecules and CrystalsLinyao Zhang, Yinan Shu, Chang Xing, et al.
Pageof 6