Tang Fujie

Selected as the 9th batch of Fujian Province "Talent Introduction" Hundred Talents Plan; Fujian Province High-Level Talent Category B; Xiamen City High-Level Talent Category B; Springer Outstanding Doctoral Dissertation Award; Peking University Excellent Doctoral Dissertation Award; Peking University Outstanding Graduate, etc.

1. National Key R&D Project - Nanotechnology Frontier, Key Project Member

2. Xiamen Young Scientists Fund, Principal Investigator

3. Xiamen University Xiangtan Young Top Talent Program (Category B), Principal Investigator

Development and application of large-scale first-principles software; molecular dynamics simulations; theoretical spectroscopy calculations; application of artificial intelligence in electrochemistry, spectroscopy, etc.; study of physical properties under extreme states, etc.

In recent years, he has published multiple articles in top journals such as Phys. Rev. X, Nat. Comput. Sci., Proc. Natl. Acad. Sci. U. S. A., Phys. Rev. Lett., Angew. Chem. Int. Ed. He has also been invited to write monographs for publishers such as Springer, CRC, and World Scientific Publishing.

1. Qi You, Yan Sun, Feng Wang, Jun Cheng,∗ and Fujie Tang∗. Competing Effects of Local Solvation Structures on Chemical Shift Changes of Liquid Electrolyte. Submitted. (∗corresponding author)

2. Fujie Tang, Diana Y. Qiu and Xifan Wu. Optical Absorption Spectroscopy Probes Water Wire and Its Ordering in a Hydrogen-bond Network. Phys. Rev. X 15, 011048(2025).

3. Fanjie Xu, Wentao Guo, Feng Wang, Lin Yao, Hongshuai Wang, Fujie Tang∗ , Zhifeng Gao∗ , Linfeng Zhang, Weinan E, Zhong-Qun Tian, Jun Cheng∗ . Towards a Unified Benchmark and Framework for Deep Learning-Based Prediction of Nuclear Magnetic Resonance Chemical Shifts. Nat. Comput. Sci., accepted. (∗corresponding author)

4. Yongkang Wang#, Fujie Tang#, Xiaoqing Yu, Kuo-Yang Chiang, Chun-Chieh Yu, Tatsuhiko Ohto, Yunfei Chen, Yuki Nagata, Mischa Bonn. Interfaces Govern Structure of Angstrom-scale Confined Water. Submitted. (#equal contribution)

5. Xianglong Du, Weizhi Shao, Chenglong Bao, Linfeng Zhang, Jun Cheng∗ , Fujie Tang∗ . Revealing the Molecular Structures of α-Al2O3 (0001)-water Interface by Machine Learning Based Computational Vibrational Spectroscopy. J. Chem. Phys., 2024, 161, 124702. (∗corresponding author) (JCP Editor’s Pick)

6. Yongkang Wang#, Fujie Tang#, Xiaoqing Yu, Tatsuhiko Ohto, Yuki Nagata, Mischa Bonn. Heterodyne-Detected Sum-Frequency Generation Vibrational Spectroscopy Reveals Aqueous Molecular Structure at the Suspended Graphene/Water Interface. Angew. Chem. Int. Ed., 2024, 63, e202319503. (#equal contribution)

7. Fujie Tang∗ , Kefeng Shi and Xifan Wu. Exploring the Impact of Ions on Oxygen K-Edge X-ray Absorption Spectroscopy in NaCl Solution using the GW-Bethe Salpeter-Equation Approach. J. Chem. Phys., 2023, 159, 174501. (∗corresponding author)

8. Fujie Tang, Zhenglu Li, Chunyi Zhang, Steven G. Louie, Roberto Car, Diana Y. Qiu and Xifan Wu. Many-body Effects in the X-ray Absorption Spectra of Liquid Water. Proc. Natl. Acad. Sci. U.S.A., 2022, 119, e2201258119.

9. Fujie Tang, Jianhang Xu, Diana Y. Qiu and Xifan Wu. Nuclear Quantum Effects on the Quasiparticle Properties of the Chloride Anion Aqueous Solution within the GW Approximation. Phys. Rev. B, 2021, 104, 035117.

10. Fujie Tang, Tatsuhiko Ohto, Shumei Sun, Jeremy R. Rouxel, Sho Imoto, Ellen H. G. Backus, Shaul Mukamel, Mischa Bonn, and Yuki Nagata. Molecular Structure and Modeling of Water-Air and Ice-Air Interfaces Monitored by Sum-frequency Generation. Chem. Rev., 2020, 120, 3633-3667.

11. Fujie Tang, Xuanyuan Jiang, Hsin-Yu Ko, Jianhang Xu, Mehmet Topsakal, Guanhua Hao, Alpha T. N’Diaye, Peter A. Dowben, Deyu Lu, Xiaoshan Xu, and Xifan Wu. Probing Ferroelectricity by X-ray Absorption Spectroscopy in Molecular Crystals. Phys. Rev. Materials, 2020, 4, 034401.

12. Shumei Sun#, Fujie Tang#, Sho Imoto, Daniel R. Moberg, Tatsuhiko Ohto, Francesco Paesani, Mischa Bonn, and Yuki Nagata. Orientational Distribution of Free OH Groups of Interfacial Water is Exponential. Phys. Rev. Lett., 2018. 121, 246101. (#equal contribution)

13. Fujie Tang, Tatsuhiko Ohto, Taisuke Hasegawa, Wen Jun Xie, Limei Xu, Mischa Bonn, and Yuki Nagata. Definition of Free O-H Groups of Water at the Air-Water Interface. J. Chem. Theory Comput., 2018, 14, 357.

14. Wilbert J. Smit#, Fujie Tang#, M. Alejandra Sanchez, Ellen H. G. Backus, Limei Xu, Taisuke Hasegawa, Mischa Bonn, Huib J. Bakker, and Yuki Nagata. Excess Hydrogen Bond at the Ice-Vapor Interface around 200 K. Phys. Rev. Lett., 2017. 119, 133003. (#equal contribution)

15. Saman Hosseinpour#, Fujie Tang#, Fenglong Wang, Ruth A. Livingstone, Simon J. Schlegel, Tatsuhiko Ohto, Mischa Bonn, Yuki Nagata, and Ellen H. G. Backus. Chemisorbed and Physisorbed Water at the TiO2/Water Interface. J. Phys. Chem. Lett., 2017, 8, 2195. (#equal contribution)

16. Fujie Tang, Tatsuhiko Ohto, Taisuke Hasegawa, Mischa Bonn and Yuki Nagata. π +–π + Stacking of Imidazolium Cations Enhances Molecular Layering of Room Temperature Ionic Liquids at Their Interfaces. Phys. Chem. Chem. Phys., 2017, 19, 2850.