Linyao Zhang

14PUBLICATIONS
18CO-AUTHORS
Reaction kinetics and dynamicsTheoretical quantum chemistryRadiation and matter
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Publications (14)

|Apr 22, 2026
New Framework for Multi-Electronic-State Dynamics and Its Validation for Photoisomerization of 1,3-Cyclohexadiene.

|Sep 29, 2023
Nonadiabatic Coupling in Trajectory Surface Hopping: Accurate Time Derivative Couplings by the Curvature-Driven Approximation.

Xiaorui Zhao, Isabella C D Merritt, Ruiqing Lei

|Apr 20, 2023
New Gradient Correction Scheme for Electronically Nonadiabatic Dynamics Involving Multiple Spin States.

Yinan Shu, Linyao Zhang, Dihua Wu

|Mar 06, 2023
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.

Xiaorui Zhao, Yinan Shu, Linyao Zhang

|Nov 09, 2022
Nonadiabatic Dynamics of 1,3-Cyclohexadiene by Curvature-Driven Coherent Switching with Decay of Mixing.

Linyao Zhang, Yinan Shu, Suman Bhaumik

|May 17, 2022
Recommendation of Orbitals for G0W0 Calculations on Molecules and Crystals.

Linyao Zhang, Yinan Shu, Chang Xing

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Frequent Collaborators

13 joint publications

Donald G Truhlar

10 joint publications

Yinan Shu

9 joint publications

Shaozeng Sun

2 joint publications

Xuefei Xu