Xi Xu
Credentials: Assistant Professor at Beijing Normal University at Zhuhai
Position title: Postdoc 2019-2022
Website: Xi Xu lab page
Address:
2009-2013 BS Nankai University
2013-2019 PhD Peking University Advisor: Hong Jiang
2019-2022 Postdoctoral Associate University of Wisconsin-Madison
2022-present Assistant Professor Beijing Normal University at Zhuhai
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Publications at UW
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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 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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Read more DocumentXi Xu, Zehua Chen, and Yang Yang. Molecular Dynamics With Constrained Nuclear Electronic Orbital Density Functional Theory: Accurate Vibrational Spectra from Efficient Incorporation of Nuclear Quantum effects. Vol. 144, no. 9, J. Am. Chem. Soc., 2022, pp. 4039-46. -
Read more DocumentJames Langford, Xi Xu, and Yang Yang. Plasmon Character Index: An Accurate and Efficient Metric for Identifying and Quantifying Plasmons in Molecules. Vol. 12, no. 38, J. Phys. Chem. Lett., 2021, pp. 9391-7. -
Xi Xu, and Yang Yang. Molecular Vibrational Frequencies from Analytic Hessian of Constrained Nuclear-Electronic Orbital Density Functional Theory. Vol. 154, no. 24, J. Chem. Phys., 2021, p. 244110.Part of the 2021 JCP Emerging Investigators Special Collection
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Read more DocumentXi Xu, and Yang Yang. Full-Quantum Descriptions of Molecular Systems from Constrained Nuclear–Electronic Orbital Density Functional Theory. Vol. 153, no. 7, J. Chem. Phys., 2020, p. 074106. -
Read more DocumentXi Xu, and Yang Yang. Constrained Nuclear-Electronic Orbital Density Functional Theory: Energy Surfaces With Nuclear Quantum effects. Vol. 152, no. 8, J. Chem. Phys., 2020, p. 084107.