Yinan Shu

44PUBLICATIONS
112CO-AUTHORS
Deep learningChemical thermodynamics and energeticsReaction kinetics and dynamicsRadiation and matterComputational chemistry
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Publications (44)

|Jun 25, 2026
Reinventing Density Functional Theory with Machine Learning on Integral Features.

|Jun 22, 2026
Nonadiabatic dynamics starting from reactant and transition state in luminol chemiluminescence.

|May 13, 2026
Dynamics of Electronically Inelastic and Reactive Collisions of O(1D) with N2 Based on Machine-Learned Coupled Potential Energy Surfaces.

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

|Feb 14, 2026
Semiclassical Multi-State Dynamics of High-Energy O + O2 Collisions: Influence of Electronic Excitation on Energy Relaxation.

Xiaorui Zhao, Yinan Shu, Donald G Truhlar

|Jan 16, 2026
Automated Learning of a Dense Manifold of Electronic States and Electronic Energy Transfer and Reactions in Singlet O Collisions with N2.

Qinghui Meng, Yinan Shu, Zoltan Varga

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Frequent Collaborators

36 joint publications

Donald G Truhlar

10 joint publications

Linyao Zhang

10 joint publications

Zoltán Varga

7 joint publications

Dayou Zhang