Yuzhe Zhang
Credentials: Scientist at Huawei
Position title: Graduate Student 2022-2026
Publications at UW
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Yiwen Wang, Zehua Chen, Yuzhe Zhang, Edwin L. Sibert, III, and Yang Yang. Assessing Constrained Nuclear−Electronic Orbital Theory for the Floppy CH5+ Ion: Geometry-Dependent Zero-Point Effects on Structure, Hydrogen Rearrangement Dynamics, and Simulated IR Spectra. Vol. 130, J. Phys. Chem. A, 2026, pp. 5978-92.John F. Stanton Memorial Issue
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Read more DocumentHaoran Chen, Zehua Chen, Yiwen Wang, Kecai Xuan, Yang Yang, and Yuzhe Zhang. Analytic Polarizability and Vibrational Raman Spectra from Constrained Nuclear-Electronic Orbital Density Functional theory. Vol. 163, no. 24, J. Chem. Phys., 2025, p. 244111. -
Zhe Liu, Yiwen Wang, Yuzhe Zhang, Nan Yang, and Yang Yang. Characterizing Infrared Spectra of OH–·(H2O)2 and OH–·(H2O)3 With Constrained Nuclear-Electronic Orbital Molecular Dynamics. Vol. 129, no. 43, J. Phys. Chem. A, 2025, pp. 9883-94.Published as part of The Journal of Physical Chemistry A special issue “Mark A. Johnson Festschrift”
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Read more DocumentYuzhe Zhang, Zhe Liu, and Yang Yang. Finite-Temperature Double Proton Transfer in Formic Acid Dimer via Constrained Nuclear-Electronic Orbital Molecular Dynamics: Lower Barriers and Enhanced Rates from Nuclear Quantum Delocalization. Vol. 21, no. 11, J. Chem. Theory Comput., 2025, pp. 5400-8. -
Read more DocumentYuzhuo Yang, Yuzhe Zhang, Yang Yang, and Xi Xu. Assessment of Electron–Proton Correlation Functionals for Vibrational Spectra of Shared-Proton Systems by Constrained Nuclear-Electronic Orbital Density Functional Theory. Vol. 161, no. 24, J. Chem. Phys., 2024, p. 244103. -
Read more DocumentJames Langford, Yuzhe Zhang, Zehua Chen, and Yang Yang. Where Is the Hidden Intramolecular H-Bonding Vibrational Signal in the Proline Matrix IR Spectrum?. Vol. 161, no. 13, J. Chem. Phys., 2024, p. 134302. -
Read more DocumentYuzhe Zhang, Yiwen Wang, Xi Xu, Zehua Chen, and Yang Yang. Vibrational Spectra of Highly Anharmonic Water Clusters: Molecular Dynamics and Harmonic Analysis Revisited With Constrained Nuclear-Electronic Orbital Methods. Vol. 19, no. 24, J. Chem. Theory Comput., 2023, pp. 9358–9368. -
Yuzhe Zhang, Xi Xu, Nan Yang, Zehua Chen, and Yang Yang. Describing Proton Transfer Modes in Shared Proton Systems With Constrained nuclear–electronic Orbital methods. Vol. 158, no. 23, J. Chem. Phys., 2023, p. 231101.Editor’s pick
Part of the 2023 JCP Emerging Investigators Special Collection
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