Linyao Zhang

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 19

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

Harbin Institute of Technology (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Harbin Institute of Technology

China

PHD :: School of Energy Science and Engineering

Harbin Institute of Technology Sep 01 2013 - Jul 01 2015

China

MSC :: School of Energy Science and Engineerin

Harbin Institute of Technology Sep 01 2009 - Jul 01 2013

China

BSC :: School of Energy Science and Engineering

Publications

Yinan Shu, Linyao Zhang, Dihua Wu, Xiye Chen, Shaozeng Sun, Donald G Truhlar
New Gradient Correction Scheme for Electronically Nonadiabatic Dynamics Involving Multiple Spin States. Journal of chemical theory and computation (2023)
Xiaorui Zhao, Yinan Shu, Linyao Zhang, Xuefei Xu, Donald G Truhlar
Direct Nonadiabatic Dynamics of Ammonia with Curvature-Driven Coherent Switching with Decay of Mixing and with Fewest Switches with Time Uncertainty: An Illustration of Population Leaking in Trajectory Surface Hopping Due to Frustrated Hops. Journal of chemical theory and computation (2023)
Yinan Shu, Linyao Zhang, Dihua Wu, Xiye Chen, Shaozeng Sun, Donald G Truhlar
New Gradient Correction Scheme for Electronically Nonadiabatic Dynamics Involving Multiple Spin States. Journal of chemical theory and computation 19 (9) (2023)
Yinan Shu, Linyao Zhang, Dihua Wu, Xiye Chen, Shaozeng Sun, Donald G Truhlar
New Gradient Correction Scheme for Electronically Nonadiabatic Dynamics Involving Multiple Spin States. Journal of chemical theory and computation (2023)
Yinan Shu, Linyao Zhang, Dihua Wu, Xiye Chen, Shaozeng Sun, Donald G Truhlar
New Gradient Correction Scheme for Electronically Nonadiabatic Dynamics Involving Multiple Spin States. Journal of chemical theory and computation (2023)
Xiaorui Zhao, Isabella C D Merritt, Ruiqing Lei, Yinan Shu, Denis Jacquemin, Linyao Zhang, Xuefei Xu, Morgane Vacher, Donald G Truhlar
Nonadiabatic Coupling in Trajectory Surface Hopping: Accurate Time Derivative Couplings by the Curvature-Driven Approximation. Journal of chemical theory and computation (2023)
Yinan Shu, Linyao Zhang, Dihua Wu, Xiye Chen, Shaozeng Sun, Donald G Truhlar
New Gradient Correction Scheme for Electronically Nonadiabatic Dynamics Involving Multiple Spin States. Journal of chemical theory and computation (2023)
Linyao Zhang, Yinan Shu, Chang Xing, Xiye Chen, Shaozeng Sun, Yudong Huang, Donald G Truhlar
Recommendation of Orbitals for G 0 W 0 Calculations on Molecules and Crystals. Journal of chemical theory and computation 18 (6) (2022)
Yinan Shu, Linyao Zhang, Xiye Chen, Shaozeng Sun, Yudong Huang, Donald G Truhlar
Nonadiabatic Dynamics Algorithms with Only Potential Energies and Gradients: Curvature-Driven Coherent Switching with Decay of Mixing and Curvature-Driven Trajectory Surface Hopping. Journal of chemical theory and computation 18 (3) (2022)
Yinan Shu, Zoltan Varga, Siriluk Kanchanakungwankul, Linyao Zhang, Donald G Truhlar
Diabatic States of Molecules. The journal of physical chemistry. A 126 (7) (2022)
Linyao Zhang, Yinan Shu, Suman Bhaumik, Xiye Chen, Shaozeng Sun, Yudong Huang, Donald G Truhlar
Nonadiabatic Dynamics of 1,3-Cyclohexadiene by Curvature-Driven Coherent Switching with Decay of Mixing. Journal of chemical theory and computation (2022)
Yinan Shu, Linyao Zhang, Sebastian Mai, Shaozeng Sun, Leticia González, Donald G Truhlar
Implementation of Coherent Switching with Decay of Mixing into the SHARC Program. Journal of chemical theory and computation 16 (6) (2020)
Yinan Shu, Linyao Zhang, Shaozeng Sun, Donald G Truhlar
Time-Derivative Couplings for Self-Consistent Electronically Nonadiabatic Dynamics. Journal of chemical theory and computation 16 (7) (2020)
Linyao Zhang, Donald G Truhlar, Shaozeng Sun
Association of Cl with C2H2 by unified variable-reaction-coordinate and reaction-path variational transition-state theory. Proceedings of the National Academy of Sciences of the United States of America 117 (11) (2020)
Yinan Shu, Linyao Zhang, Zoltan Varga, Kelsey A Parker, Siriluk Kanchanakungwankul, Shaozeng Sun, Donald G Truhlar
Conservation of Angular Momentum in Direct Nonadiabatic Dynamics. The journal of physical chemistry letters 11 (3) (2020)
Yinan Shu, Joanna Kryven, Antonio Gustavo Sampaio de Oliveira-Filho, Linyao Zhang, Guo-Liang Song, Shaohong L Li, Rubén Meana-Pañeda, Bina Fu, Joel M Bowman, Donald G Truhlar
Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen. The Journal of chemical physics 151 (10) (2019)
Linyao Zhang, Donald G Truhlar, Shaozeng Sun
Full-dimensional three-state potential energy surfaces and state couplings for photodissociation of thiophenol. The Journal of chemical physics 151 (15) (2019)
Linyao Zhang, Donald G Truhlar, Shaozeng Sun
Electronic spectrum and characterization of diabatic potential energy surfaces for thiophenol. Physical chemistry chemical physics : PCCP 20 (44) (2018)
Linyao Zhang, Li Yang, Yijun Zhao, Jiaxu Zhang, Dongdong Feng, Shaozeng Sun
Effects of Water Molecule on CO Oxidation by OH: Reaction Pathways, Kinetic Barriers, and Rate Constants. The journal of physical chemistry. A 121 (26) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Linyao Zhang