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Author

Heng-Yue Zhang

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Oct 2026

Vibrationally inelastic scattering of NO from metal surfaces: A partial mean-field approach.

Vibrationally inelastic scattering of NO from metal surfaces probes electronically nonadiabatic molecule-surface dynamics. Experiments have reported multi-quantum relaxation and a work function dependence associated with transient charge transfer. In this work, we develop a partial mean-field approach for a Newns-Ander...

Zhi-Yan Liu, Heng-Yue Zhang, Qiang Shi · 0 citations

CoRe-Gen: Robust Spectrum-to-Structure Generation under Imperfect Fingerprint Conditions

CoRe-Gen is presented, which improves the intermediate condition through synthetic-spectrum pretraining, matches deployment-time noise through frequency-aware corruption, and introduces a differentiable fingerprint-to-memory bridge for joint encoder--decoder finetuning.

Tianbo Liu, Chi-Xiang Lu, Jing Hao et al. · 0 citations

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