Xin Xu
Affiliations: | Fudan university, Shanghai, Shanghai Shi, China |
Website:
https://xdft.fudan.edu.cn/Google:
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Parents
Sign in to add mentor| Qianer Zhang | grad student | ||
| William A. Goddard | research scientist | Caltech |
Children
Sign in to add trainee| Sai Duan | grad student | ||
| Neil-qiang Qiang Su | grad student | ||
| Igor Ying Zhang | grad student | Xiamen University | |
| De-Yin Wu | post-doc | Xiamen University | |
| Jun Chen | post-doc | 2016-2019 | Xiamen University |
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Publications
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| Shi W, Shen T, Xing C, et al. (2025) Ultrastable supported oxygen evolution electrocatalyst formed by ripening-induced embedding. Science (New York, N.Y.). 387: 791-796 |
| Feng R, Zhang IY, Xu X. (2025) A cross-entropy corrected hybrid multiconfiguration pair-density functional theory for complex molecular systems. Nature Communications. 16: 235 |
| Xu X, Chen J, Liu S, et al. (2024) Differential Cross-Sections for the Vibrationally Excited H + HOD( = 1-4) → H + OD Reactions. The Journal of Physical Chemistry. A |
| Wang Y, Zhang IY, Xu X. (2024) How accurate can Kohn-Sham density functional be for both main-group and transition metal reactions. Journal of Computational Chemistry |
| Wang Y, Lin Z, Ouyang R, et al. (2024) Toward Efficient and Unified Treatment of Static and Dynamic Correlations in Generalized Kohn-Sham Density Functional Theory. Jacs Au. 4: 3205-3216 |
| Xu X, Liu S, Chen J, et al. (2024) High vibrational excitation of the reagent transforms the late-barrier H + HOD reaction into an early-barrier reaction. The Journal of Chemical Physics. 160 |
| Bi S, Wang S, Zhang IY, et al. (2023) Improving XYG3-type doubly hybrid approximation using self-interaction corrected SCAN density and orbitals via the PZ-SIC framework: The xDH@SCAN(SIC) approach. The Journal of Chemical Physics. 159 |
| Chen J, Wang F, Xu X. (2023) A global 2A″ state potential energy surface for the Al (2P) + O2 (Σg-3) → AlO (2Σ+) + O (3P) reaction based on the doubly hybrid functional XYG3. The Journal of Chemical Physics. 159 |
| Xu X, Chen J, Liu S, et al. (2023) Differential Cross Sections for the H + HS → H + SH Reaction: A Full-Dimensional State-to-State Quantum Dynamics Study. The Journal of Physical Chemistry. A |
| Duan S, Xu X. (2023) Accurate Simulations of Scanning Tunneling Microscope: Both Tip and Substrate States Matter. The Journal of Physical Chemistry Letters. 6726-6735 |