Personal Profile
National-level Young Talent Program (Overseas) awardee. My research focuses on key chemical reaction dynamics and isotope fractionation mechanisms in Earth science, planetary science, and astrochemistry. As my daily work relies heavily on theoretical and computational approaches—including machine learning, quantum chemistry, and (quantum) dynamics—I have earned (self-awarded) the nickname: “keyboard geochemist.” I have published more than 20 papers as first or corresponding author in journals including Nature Chemistry, PNAS, Science Advances, JPCL, JCTC, and JCP. About the group: Long history: steadily running for three years (yes, a full three years). Strong team: currently two master’s students holding the fort. Funding: reasonably well supported (this is not a joke—at least for now). Research style: interdisciplinary and at the frontier; challenging, but ideal if you prefer not to follow the beaten path. Research focus: we currently investigate key reaction pathways in photochemistry and non-mass-dependent isotope fractionation, with applications to the evolution of planetary atmospheres. Pros: not overly “competitive,” as relatively few people are working in this area. Cons: admittedly a bit challenging (which also makes it interesting). Open positions: we are recruiting master’s students, PhD students, and research assistants. You are very welcome to join us—let’s decode the Earth with keyboards (or you can teach me how to run experiments).
Publications
Shanyu Han; Carolyn E. Gunthardt; Richard Dawes; Daiqian Xie; Simon W. North; Hua Guo ; Origin of the “odd” behavior in the ultraviolet photochemistry of ozone, Proceedings of the National Academy of Sciences, 2020, 117(35): 21065-21069 Shanyu Han; Xianfeng Zheng; Steve Ndengué; Yu Song; Richard Dawes; Daiqian Xie; Jingsong Zhang; Hua Guo ; Dynamical interference in the vibronic bond breaking reaction of HCO, Science Advances, 2019, 5(1): eaau0582 Shanyu Han; Markus Schröder; Fabien Gatti; Hans-Dieter Meyer; David Lauvergnat; David R. Yarkony; Hua Guo ; Representation of Diabatic Potential Energy Matrices for Multiconfiguration Time-Dependent Hartree Treatments of High-Dimensional Nonadiabatic Photodissociation Dynamics, Journal of Chemical Theory and Computation, 2022, 18(8): 4627-4638 Shanyu Han; Ge Sun; Xianfeng Zheng; Yu Song; Richard Dawes; Daiqian Xie; Jingsong Zhang; Hua Guo ; Rotational Modulation of Ã2A″-State Photodissociation of HCO via Renner–Teller Nonadiabatic Transitions, Journal of Physical Chemistry Letters, 2021, 12(28): 6582-6588 Shanyu Han; Yucheng Wang; Yafu Guan; David R. Yarkony; Hua Guo; Impact of Diabolical Singular Points on Nonadiabatic Dynamics and a Remedy: Photodissociation of Ammonia in the First Band, Journal of Chemical Theory and Computation, 2020, 16(11): 6776-6784 Shanyu Han; Daiqian Xie; Hua Guo ; A modified Gaussian Wave Packet Method for Calculating Initial State Wavefunctions in Photodissociation, Journal of Chemical Theory and Computation, 2018, 14(11): 5527-5534 Shanyu Han; Antonio G S de Oliveira-Filho; Yinan Shu; Donald G Truhlar; Hua Guo ; Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH( A 2 Σ + ) by H 2 Based on an Improved Full‐Dimensional Ab Initio Diabatic Potential Energy Matrix, ChemPhysChem, 2022, 23(8): e202200039 Shanyu Han; Bin Zhao; Riccardo Conte; Christopher L. Malbon; Joel M. Bowman; David R. Yarkony; Hua Guo ; Nonadiabatic Reactive Quenching of OH(A2Σ+) by H2: Origin of High Vibrational Excitation in the H2O Product, The Journal of Physical Chemistry A, 2022, 126(39): 6944-6952 Shanyu Han; Linsen Zhou; Daiqian Xie ; State to State Photodissociation Dynamics of Vibrationally Excited D2O in B Band, Chinese Journal of Chemical Physics, 2015, 28(4): 396-402 Feng An; Shanyu Han; Xixi Hu; Daiqian Xie; Hua Guo ; First-principles Dynamics of Collisional Intersystem Crossing: Resonance Enhanced Quenching of C(1D) by N2, Physical Chemistry Chemical Physics, 2019, 21(17): 8645-8653 (Featured as back cover) Ge Sun; Shanyu Han; Xianfeng Zheng; Yu Song; Yuan Qin; Richard Dawes; Daiqian Xie; Jingsong Zhang; Hua Guo ; Unimolecular Dissociation Dynamics of Electronically Excited HCO(A): Rotational Control of Nonadiabatic Decay, Faraday Discussions, 2022, 238: 236-248 Bin Zhao; Shanyu Han; Christopher L. Malbon; Uwe Manthe; David R. Yarkony; Hua Guo ; Full-dimensional quantum stereodynamics of the non-adiabatic quenching of OH(A(2)sigma(+)) by H2, Nature Chemistry, 2021, 13(9): 909-915 Feng An; Shanyu Han; Xixi Hu; Kaijun Yuan; Daiqian Xie ; Adiabatic Potential Energy Surfaces and Photodissociation Mechanisms for Highly Excited States of H2O, Chinese Journal of Chemical Physics, 2022, 35(1): 104-116 Qixin Chen; Shanyu Han; Xixi Hu; Daiqian Xie ; Full-Dimensional Potential Energy Surfaces of Ground (X2A') and Excited(A2A'') Electronic States of HCO and Absorption Spectrum, Chinese Journal of Chemical Physics, 2022, 35(2): 303-310 Jean-Christophe Loison; Xixi Hu; Shanyu Han; Kevin M.Hickson; Hua Guo; Daiqian Xie ; An experimental and theoretical investigation of the N(4S) + C2(1Σg+) reaction at low temperature, Physical Chemistry Chemical Physics, 2014, 16(27): 14212
|
