Dr. Xixi Hu is currently an Associate Professor and Doctoral Supervisor at the School of Chemistry, Nanjing University. She received her Bachelor’s degree from Sichuan University in 2011 and earned her Ph.D. from Nanjing University in 2016.

Dr. Hu has presided over five projects funded by the National Natural Science Foundation of China (NSFC). Her research primarily focuses on complex reaction systems involving deep potential wells and excited states. She is dedicated to developing high-accuracy and efficient potential energy surfaces and quantum dynamics methods. Her work has elucidated key dynamic mechanisms in atmospheric chemistry, interstellar chemistry, and combustion chemistry.

To date, she has published over 50 papers, including 4 in Nature Communications, 1 in Journal of the American Chemical Society, 8 in The Journal of Physical Chemistry Letters, 1 in Chemical Science, 1 in Journal of Chemical Theory and Computation, among others.

2016.07-2019.07      Associate researcher at the School of Chemistry and Chemical Engineering, Nanjing University

2019.07-2019.11      Researcher at the School of Chemistry and Chemical Engineering, Nanjing University 

2019.11-2025.12      Associate Professor, Kuang Yaming Honors School, Nanjing University

2025.12-present       Associate Professor, School of Chemistry, Nanjing University

 Potential energy surfaces and quantum reaction dynamics,  non-adiabatic dynamics of sysrems involving excited states

1.      Ran, P.; Wei, F.; Xiang, B.; Qiu, A.; Tian, B.; Xu, X.; Dai, L.; Zhang, H.; Wang, F.; Sun, Y.; Lv, Y.; Hu, X.; Xie, D.; Ding, M., Efficient, Versatile, and Durable Electrocatalytic Nitroaromatic-to-Arylamine Reduction via Heteroatom-Site Hydrogen-Atom Transfer. Journal of the American Chemical Society2025,147 (41), 37414-37427.

2.      Li, X.; Wang, J.; Chen, J.; Han, S.; Hu, X.; Xie, D., Photodissociation Dynamics of H2S via the 31A′ State: Dominance of Dual Intersection-Induced Barriers. Journal of Physical Chemistry Letters2025, 16, 12777-12786.

3.      Zhang, H.; Chen, Q.; An, F.; Guo, H.; Xie, D.; Xu, W.; Hu, X.; Han, S., Revealing Transition State Signatures in Collisional Vibrational Quenching Aided by Conical Intersections. Journal of Physical Chemistry Letters2025,16 (30), 7567-7574.

4.      Yu, Y.; Hu, X.; Guo, H.; Xie, D., Long-Range Interaction between Molecules with Electronic Degeneracy: Beyond the Born–Oppenheimer Approximation. JACS Au 2025,5 (10), 5079-5088.

5.         Wang, J.; Xie, C.; Hu, X.; Guo, H.; Xie, D., Impact of Geometric Phase on Dynamics of Complex-Forming Reactions: H + O2 → OH + O. Journal of Physical Chemistry Letters 2024,15 (16), 4237-4243.

6.         Zhao, Y.; Chen, J.; Luo, Z.; Chang, Y.; Yang, J.; Zhang, W.; Wu, G.; Crane, S. W.; Hansen, C. S.; Ding, H.; An, F.; Hu, X.; Xie, D.; Ashfold, M. N. R.; Yuan, K.; Yang, X., The vibronic state dependent predissociation of H2S: determination of all fragmentation processes. Chemical Science2023,14 (10), 2501-2517.

7.         Wang, J.; An, F.; Chen, J.; Hu, X.; Guo, H.; Xie, D., Accurate Full-Dimensional Global Diabatic Potential Energy Matrix for the Two Lowest-Lying Electronic States of the H + O2 ⇆ HO + O Reaction. Journal of Chemical Theory and Computation2023,19 (10), 2929-2938.

8.         Rosch, D.; Xu, Y.; Guo, H.; Hu, X.; Osborn, D. L., SO2 Photodissociation at 193 nm Directly Forms S(3P) + O2(3Σg-): Implications for the Archean Atmosphere on Earth. Journal of Physical Chemistry Letters2023,14 (12), 3084-3091.

9.         Zhao, Y.; Chen, J.; Luo, Z.; Li, Z.; Yang, S.; Chang, Y.; An, F.; Chen, Z.; Yang, J.; Wu, G.; Zhang, W.; Hu, X.; Xie, D.; Ding, H.; Yuan, K.; Yang, X., Photodissociation of H2S: A New Pathway for the Production of Vibrationally Excited Molecular Hydrogen in the Interstellar Medium. Journal of Physical Chemistry Letters2022,13 (42), 9786-9792.

10.     Chen, Q.; Zhang, S.; Hu, X.; Xie, D.; Guo, H., Reaction Pathway Control via Reactant Vibrational Excitation and Impact on Product Vibrational Distributions: The O + HO2 → OH + O2 Atmospheric Reaction. Journal of Physical Chemistry Letters2022,13 (7), 1872-1878.

11.     Chen, Q.; Hu, X.; Guo, H.; Xie, D., Insights into the Formation of Hydroxyl Radicals with Nonthermal Vibrational Excitation in the Meinel Airglow. Journal of Physical Chemistry Letters2021,12 (7), 1822-1828.

12.     Chang, Y.; Yu, Y.; An, F.; Luo, Z.; Quan, D.; Zhang, X.; Hu, X.; Li, Q.; Yang, J.; Chen, Z.; Che, L.; Zhang, W.; Wu, G.; Xie, D.; Ashfold, M. N. R.; Yuan, K.; Yang, X., Three body photodissociation of the water molecule and its implications for prebiotic oxygen production. Nature Communications 2021,12 (1), 2476.

13.     Chang, Y.; An, F.; Chen, Z.; Luo, Z.; Zhao, Y.; Hu, X.; Yang, J.; Zhang, W.; Wu, G.; Xie, D.; Yuan, K.; Yang, X., Vibrationally excited molecular hydrogen production from the water photochemistry. Nature Communications 2021,12 (1), 6303.

14.     Chang, Y.; Li, Q.; An, F.; Luo, Z.; Zhao, Y.; Yu, Y.; He, Z.; Chen, Z.; Che, L.; Ding, H.; Zhang, W.; Wu, G.; Hu, X.; Xie, D.; Plane, J. M. C.; Feng, W.; Western, C. M.; Ashfold, M. N. R.; Yuan, K.; Yang, X., Water Photolysis and Its Contributions to the Hydroxyl Dayglow Emissions in the Atmospheres of Earth and Mars. Journal of Physical Chemistry Letters 2020,11 (21), 9086-9092.

15.     Chang, Y.; An, F.; Li, Q.; Luo, Z.; Che, L.; Yang, J.; Chen, Z.; Zhang, W.; Wu, G.; Hu, X.; Xie, D.; Yuan, K.; Yang, X., Electronically Excited OH Super-rotors from Water Photodissociation by Using Vacuum Ultraviolet Free-Electron Laser Pulses. Journal of Physical Chemistry Letters2020,11 (18), 7617-7623.

16.     An, F.; Chen, J.; Hu, X.; Guo, H.; Xie, D., Nonadiabatic Electronic Energy Transfer in the Chemical Oxygen-Iodine Laser: Powered by Derivative Coupling or Spin-Orbit Coupling? Journal of Physical Chemistry Letters2020,11 (12), 4768-4773.

17.     Yang, D.; Huang, J.; Hu, X.; Guo, H.; Xie, D., Breakdown of energy transfer gap laws revealed by full-dimensional quantum scattering between HF molecules. Nature Communications 2019,10, 4658.

18.     Chang, Y.; Yu, Y.; Wang, H.; Hu, X.; Li, Q.; Yang, J.; Su, S.; He, Z.; Chen, Z.; Che, L.; Wang, X.; Zhang, W.; Wu, G.; Xie, D.; Ashfold, M. N. R.; Yuan, K.; Yang, X., Hydroxyl super rotors from vacuum ultraviolet photodissociation of water. Nature Communications2019,10, 1250.