谢代前教授，1988年获得吉林大学理论化学研究所物化专业博士学位。1998年获中国化学会青年化学家奖。2002年获教育部第三届高校青年教师奖。 2007年获国家杰出青年基金。2022年6月起为合肥国家实验室双聘科研人员。在高精度分子势能面的构建和态-态反应动力学研究等方面取得了重要成果，揭示了若干重要反应的微观动力学机制。已发表论文300余篇，包括Science 3篇(与实验合作)，Nature 1篇(与实验合作)，Nano Energy 1篇‎，Sci. Adv. 1篇，PNAS 3篇，JACS 5篇, Chem. Sci. 2篇，Nat. Commun. 3篇，J. Phys. Chem. Lett. 12篇等。

研究项目

国家自然科学基金基础科学板块重点项目：“冷分子碰撞传能动力学的理论与实验研究”，2023.1—2026.12

国家自然科学基金重点项目：“冷分子碰撞的态-态量子动力学的理论研究”，2023.1—2027.12

科技部科技创新2030-量子通信与量子计算机重大项目子课题：“动力学高精度测量与量子计算”，2022.6—2027.6

国家自然科学基金重点项目：“复杂多原子反应体系的态-态量子动力学研究”，2018.1—2022.12

国家自然科学基金重大课题：“高能化学激光中传能动力学研究”，2016.1—2020.12

国家自然科学重大研究计划培育项目：“碳氢燃料燃烧过程中氧原子与HO2及C2H2反应的量子动力学研究” ，2017.1—2019.12

国家自然科学重大研究计划集成项目：“振动激发态分子的表面散射动力学研究”，2015.1—2017.12

科技部重大科学研究计划（973课题）：“多原子体系的化学反应动力学研究”，2013.1—2017.12

国家自然科学基金重点项目，“分子光解过程态-态动力学的理论和实验研究”，2012.1—2016.12

国家自然科学基金面上项目，“低温下含氮的原子与自由基反应的量子动力学研究”，2013.1—2016.12

国家自然科学重大研究计划集成项目，“振动激发态分子的反应动力学研究”，2013.1—2015.12

代表论文

Yu, Y.; Yang, D.; Hu, X.; Xie, D., ABLRI: A program for calculating the long-range interaction energy between two monomers in their non-degenerate states. The Journal of Chemical Physics, 160, 172501 (2024).

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

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 Computation, 19, 2929-2938 (2023).

Fang, S. ; Duan, S.; Wang, X.; Chen, S .;Li, L.; Li, H.; Jiang, B,; Liu, C .; Wang, N.; Zhang, L.; Wen, X.; Yao, Y.; Zhang, J.; Xie, D.; Luo, Y.; Xu, W.; Direct Characterization of Shear Photons in Layered Materials by Mechano-Raman Spectroscopy. Nature Photonics ,2023(Accepted)

Zhou, B. ; Zhou, Y.; Xie, D., Accelerated Quantum Mechanics/Molecular Mechanics Simulations via Neural Networks Incorporated with Mechanical Embedding Scheme. Journal of Chemical Theory and Computation ,19，1157-1169.

Yang, D. ; Chai, S.; Xie, D.; Guo,H., ABC+D: A Time-independent Coupled-channel Quantum Dynamics Program for Elastic and Ro-vibrational Inelastic Scattering between Atoms and Triatomic Molecules in Full Dimensionality. Journal of Chemical Physics (Editor's Pick) ,158，054801(2023).

Yang, D.; Guo,H.; Xie, D., Recent Advances in Quantum Theory on Ro-vibrationally Inelastic Scattering. Physical Chemistry Chemical Physics (invited perspective, front cover) ,25，3577-3594(2023).

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 Letters ,13，1872-1888(2022).

Yang, D.; Xie, D.; Guo, H., Stereodynamical Control of Cold Collisions of Polyatomic Molecules with Atoms. Journal of Physical Chemistry Letters ,13，1777-1784(2022).

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 .12, 6303(2021).

Liu, Y.; Hu, M.; Nichols, A.; Yang, D.; Xie, D.; Guo, H.;and Ni, K.; Precision Test of Statiscal Dynamics with State-to-state Ultracold Chemistry. Nature .593, 379-384(2021).

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.; Yuan, K.; and Yang, X., Three Body Photodissociation of the Water Molecule and its Implications for Prebiotic Oxygen Production. Nature Communications .12, 2476(2021).

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 Letters ,12，1822-1828(2021).

Li, J.; Zhao, B.; Xie, D.; Guo, H., Advances and New Challenges to Bimolecular Reaction Dynamics Theory. Journal of Physical Chemistry Letters , 11，8844-8860(2020).

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 Letters ,11, 7617-7623(2020).

Wang,F;Zhou,Y;Lin,S;Yang,L;Hu,Z;Xie,D,Axial Ligand Effect on The Stability of Fe–N–C Electrocatalysts for Acidic Oxygen Reduction Reaction. Nano energy,78,105128(2020)

An, F.; Chen, J.; Hu, X.; Guo, H.; Xie, D., Nonadiabatic Electronic Energy Transfer in Chemical Oxygen-Iodine Laser: Powered by Derivative Coupling or Spin-Orbit Coupling? Journal of Physical Chemistry Letters,11, 4768 (2020).

Yang, D.; Zuo, J.; Huang, J.; Hu, X.; Dawes, R.; Xie, D.; Guo, H., A Global Full-Dimensional Potential Energy Surface for the K2Rb2 Complex and Its Lifetime. Journal of Physical Chemistry Letters,11, 2605 (2020).

Liu, Y.; Song, H.; Xie, D.; Li, J.; Guo, H., Mode Specificity in the OH + HO2 -> H2O + O-2 Reaction: Enhancement of Reactivity by Exciting a Spectator Mode. Journal of the American Chemical Society,142, 3331 (2020).

Xie, C.; Zhao, B.; Malbon, C. L.; Yarkony, D. R.; Xie, D.; Guo, H., Insights into the Mechanism of Nonadiabatic Photodissociation from Product Vibrational Distributions. The Remarkable Case of Phenol. Journal of Physical Chemistry Letters,11, 191 (2020).

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,10, 4658 (2019).

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 Communications,10, 1250 (2019).

Han, S.; Zheng, X.; Ndengue, S.; Song, Y.; Dawes, R.; Xie, D.; Zhang, J.; Guo, H., Dynamical Interference in the Vibronic Bond Breaking Reaction of HCO. Science Advances,5, eaau0582 (2019).

Hu, X.; Zhou, L.; Xie, D., State-to-state Photodissociation Dynamics of the Water Molecule. Wiley Interdisciplinary Reviews-Computational Molecular Science,8, e1350 (2018).

Xie, C.; Malbon, C. L.; Yarkony, D. R.; Xie, D.; Guo, H., Signatures of a Conical Intersection in Adiabatic Dissociation on the Ground Electronic State. Journal of the American Chemical Society,140, 1986 (2018).

Zuo, J.; Xie, C.; Guo, H.; Xie, D., Accurate Determination of Tunneling-Affected Rate Coefficients: Theory Assessing Experiment. Journal of Physical Chemistry Letters,8, 3392 (2017).

Jiang, B.; Yang, M.; Xie, D.; Guo, H., Quantum Dynamics of Polyatomic Dissociative Chemisorption on Transition Metal Surfaces: Mode Specificity and Bond Selectivity. Chemical Society Reviews,45, 3621 (2016).

Xie, C.; Ma, J.; Zhu, X.; Yarkony, D. R.; Xie, D.; Guo, H., Nonadiabatic Tunneling in Photodissociation of Phenol. Journal of the American Chemical Society,138, 7828 (2016).

Zhou, Y.; Xie, D.; Zhang, Y., Amide Rotation Hindrance Predicts Proteolytic Resistance of Cystine-Knot Peptides. Journal of Physical Chemistry Letters,7, 1138 (2016).

Lei, J.; Zhou, Y.; Xie, D.; Zhang, Y., Mechanistic Insights into a Classic Wonder Drug-Aspirin. Journal of the American Chemical Society,137, 70 (2015).

Xie, C.; Ma, J.; Zhu, X.; Zhang, D. H.; Yarkony, D. R.; Xie, D.; Guo, H., Full-Dimensional Quantum State-to-State Nonadiabatic Dynamics for Photodissociation of Ammonia in its A-Band. Journal of Physical Chemistry Letters,5, 1055 (2014).

Li, J.; Carter, S.; Bowman, J. M.; Dawes, R.; Xie, D.; Guo, H., High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of the Simplest Criegee Intermediate (CH2OO). Journal of Physical Chemistry Letters,5, 2364 (2014).

Whitehill, A. R.; Xie, C.; Hu, X.; Xie, D.; Guo, H.; Ono, S., Vibronic Origin of Sulfur Mass-independent Isotope Effect in Photoexcitation of SO2 and the Implications to the Early Earth's Atmosphere. Proceedings of the National Academy of Sciences of the United States of America,110, 17697 (2013).

Jiang, B.; Liu, R.; Li, J.; Xie, D.; Yang, M.; Guo, H., Mode Selectivity in Methane Dissociative Chemisorption on Ni(111). Chemical Science,4, 3249 (2013).

Jiang, B.; Xie, D.; Guo, H., Vibrationally Mediated Bond Selective Dissociative Chemisorption of HOD on Cu(111). Chemical Science,4, 503 (2013).

Jiang, B.; Ren, X.; Xie, D.; Guo, H., Enhancing Dissociative Chemisorption of H2O on Cu(111) Via Vibrational Excitation. Proceedings of the National Academy of Sciences of the United States of America,109, 10224 (2012).

Daranlot, J.; Jorfi, M.; Xie, C.; Bergeat, A.; Costes, M.; Caubet, P.; Xie, D.; Guo, H.; Honvault, P.; Hickson, K. M., Revealing Atom-Radical Reactivity at Low Temperature Through the N plus OH Reaction. Science,334, 1538 (2011).

Lin, S.; Xie, D.; Guo, H., Methyl Formate Pathway in Methanol Steam Reforming on Copper: Density Functional Calculations. Acs Catalysis,1, 1263 (2011).

Sun, Z.; Zhang, D. H.; Xu, C.; Zhou, S.; Xie, D.; Lendvay, G.; Lee, S.-Y.; Lin, Y.; Guo, H., State-to-State Dynamics of H + O-2 Reaction, Evidence for Nonstatistical Behavior. Journal of the American Chemical Society,130, 14962 (2008).

Wang, X.; Dong, W.; Xiao, C.; Che, L.; Ren, Z.; Dai, D.; Wang, X.; Casavecchia, P.; Yang, X.; Jiang, B.; Xie, D.; Sun, Z.; Lee, S.-Y.; Zhang, D. H.; Werner, H.-J.; Alexander, M. H., The Extent of Non-Born-Oppenheimer Coupling in the Reaction of Cl(P-2) With Para-H-2. Science,322, 573 (2008).

Qiu, M. H.; Ren, Z. F.; Che, L.; Dai, D. X.; Harich, S. A.; Wang, X. Y.; Yang, X. M.; Xu, C. X.; Xie, D. Q.; Gustafsson, M.; Skodje, R. T.; Sun, Z. G.; Zhang, D. H., Observation of Feshbach Resonances in the F+H-2 -> HF+H Reaction. Science,311, 1440 (2006).