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Dayou Zhang

Showing results (11-20 of 22) with videos related to

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The Journal of Physical Chemistry. A|June 16, 2025
Vertical Excitation Energies of Organic Molecules Calculated by the MC23 Hybrid Meta On-Top Functional as Compared to Other Multireference MethodsAiswarya M Parameswaran, Dayou Zhang, Donald G Truhlar
Journal of Chemical Theory and Computation|November 16, 2022
Global Potential Energy Surfaces by Compressed-State Multistate Pair-Density Functional Theory: The Lowest Doublet States Responsible for the N(<sup>4</sup>S<sub>u</sub>) + C<sub>2</sub>(<i>a</i> <sup>3</sup>Π<sub>u</sub>) → CN(<i>X</i> <sup>2</sup>Σ<sup>+</sup>) + C(<sup>3</sup>P<sub>g</sub>) ReactionJunxiang Zuo, Dayou Zhang, Donald G Truhlar, et al.
Journal of Chemical Theory and Computation|February 27, 2025
Dual-Level Parametrically Managed Neural Network Method for Learning a Potential Energy Surface for Efficient DynamicsSuman Bhaumik, Dayou Zhang, Yinan Shu, et al.
The Journal of Physical Chemistry. A|November 2, 2023
<i>ChemPotPy</i>: A Python Library for Analytic Representations of Potential Energy Surfaces and Diabatic Potential Energy MatricesYinan Shu, Zoltan Varga, Dayou Zhang, et al.
Journal of Chemical Theory and Computation|April 5, 2021
Multiconfiguration Density-Coherence Functional TheoryDayou Zhang, Matthew R Hermes, Laura Gagliardi, et al.
Chemical Communications (Cambridge, England)|March 30, 2018
Shaping metal-organic framework materials with a honeycomb internal structureYingya Zhang, Juanjuan Cai, Dayou Zhang, et al.
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.
Research (Washington, D.C.)|January 16, 2026
Automated Learning of a Dense Manifold of Electronic States and Electronic Energy Transfer and Reactions in Singlet O Collisions with N<sub>2</sub>Qinghui Meng, Yinan Shu, Zoltan Varga, et al.
Journal of Chemical Theory and Computation|October 30, 2025
MC25: An Accurate Meta Pair-Density Functional for Multiconfiguration Pair-Density Functional Theory and Linearized Pair-Density Functional TheoryDayou Zhang, Younghwan Kim, Matthew R Hennefarth, et al.
Proceedings of the National Academy of Sciences of the United States of America|January 10, 2025
A hybrid meta on-top functional for multiconfiguration pair-density functional theoryJie J Bao, Dayou Zhang, Shaoting Zhang, et al.
Pageof 3

Showing results (11-20 of 22) with videos related to

Sort By:
Pageof 3
The Journal of Physical Chemistry. A|June 16, 2025
Vertical Excitation Energies of Organic Molecules Calculated by the MC23 Hybrid Meta On-Top Functional as Compared to Other Multireference MethodsAiswarya M Parameswaran, Dayou Zhang, Donald G Truhlar
Journal of Chemical Theory and Computation|November 16, 2022
Global Potential Energy Surfaces by Compressed-State Multistate Pair-Density Functional Theory: The Lowest Doublet States Responsible for the N(<sup>4</sup>S<sub>u</sub>) + C<sub>2</sub>(<i>a</i> <sup>3</sup>Π<sub>u</sub>) → CN(<i>X</i> <sup>2</sup>Σ<sup>+</sup>) + C(<sup>3</sup>P<sub>g</sub>) ReactionJunxiang Zuo, Dayou Zhang, Donald G Truhlar, et al.
Journal of Chemical Theory and Computation|February 27, 2025
Dual-Level Parametrically Managed Neural Network Method for Learning a Potential Energy Surface for Efficient DynamicsSuman Bhaumik, Dayou Zhang, Yinan Shu, et al.
The Journal of Physical Chemistry. A|November 2, 2023
<i>ChemPotPy</i>: A Python Library for Analytic Representations of Potential Energy Surfaces and Diabatic Potential Energy MatricesYinan Shu, Zoltan Varga, Dayou Zhang, et al.
Journal of Chemical Theory and Computation|April 5, 2021
Multiconfiguration Density-Coherence Functional TheoryDayou Zhang, Matthew R Hermes, Laura Gagliardi, et al.
Chemical Communications (Cambridge, England)|March 30, 2018
Shaping metal-organic framework materials with a honeycomb internal structureYingya Zhang, Juanjuan Cai, Dayou Zhang, et al.
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.
Research (Washington, D.C.)|January 16, 2026
Automated Learning of a Dense Manifold of Electronic States and Electronic Energy Transfer and Reactions in Singlet O Collisions with N<sub>2</sub>Qinghui Meng, Yinan Shu, Zoltan Varga, et al.
Journal of Chemical Theory and Computation|October 30, 2025
MC25: An Accurate Meta Pair-Density Functional for Multiconfiguration Pair-Density Functional Theory and Linearized Pair-Density Functional TheoryDayou Zhang, Younghwan Kim, Matthew R Hennefarth, et al.
Proceedings of the National Academy of Sciences of the United States of America|January 10, 2025
A hybrid meta on-top functional for multiconfiguration pair-density functional theoryJie J Bao, Dayou Zhang, Shaoting Zhang, et al.
Pageof 3