Daiqian Xie

Hefei University — China

Physics and Astronomy · Physical Sciences

49h-index8.7kcitations395works3.22yr avg
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Research Topics

Advanced Chemical Physics Studies(247), Spectroscopy and Laser Applications(114), Spectroscopy and Quantum Chemical Studies(93), Quantum, superfluid, helium dynamics(89), Atmospheric Ozone and Climate(76)

Publications395 total

Cartesian-nj: Extending e3nn to Irreducible Cartesian Tensor Product and Contracion
ArXiv.org·2025Open Access
Cartesian-nj: Extending e3nn to Irreducible Cartesian Tensor Product and Contracion
arXiv (Cornell University)·2025Open Access
Photodissociation Dynamics of H <sub>2</sub> S via the 3 <sup>1</sup> <i>A</i> ′ State: Dominance of Dual Intersection-Induced Barriers
The Journal of Physical Chemistry Letters·2025
Full-Dimensional Time-Independent Quantum Dynamics Approach to Rovibrationally Inelastic Scattering between Triatomic and Diatomic Molecules: A Case Study for H <sub>2</sub> O + H <sub>2</sub>
Journal of Chemical Theory and Computation·2025
Vibrationally Dependent Stereodynamic Control of Scattering Resonances in Cold CO + H <sub>2</sub> Collisions
The Journal of Physical Chemistry A·2025
Research advances in cold molecular collision dynamics
Scientia Sinica Chimica·2025Open Access
Efficient, Versatile, and Durable Electrocatalytic Nitroaromatic-to-Arylamine Reduction via Heteroatom-Site Hydrogen-Atom Transfer
Journal of the American Chemical Society·2025· 3 cited
Long-Range Interaction between Molecules with Electronic Degeneracy: Beyond the Born–Oppenheimer Approximation
JACS Au·2025· 2 citedOpen Access
General reactive element-based machine learning potentials for heterogeneous catalysis
Nature Catalysis·2025· 15 cited
TACE: A unified Irreducible Cartesian Tensor Framework for Atomistic Machine Learning
ArXiv.org·2025· 1 citedOpen Access
Theoretical Studies on the Deacylation Stage of the Hydrolysis of PET Heptamer by PETase
Chemical Research in Chinese Universities·2025
Revealing Transition State Signatures in Collisional Vibrational Quenching Aided by Conical Intersections
The Journal of Physical Chemistry Letters·2025
Erratum: “Cold H + O2 collisions: Impact of resonances, geometric phase, and alignment” [J. Chem. Phys. 162, 074301 (2025)]
The Journal of Chemical Physics·2025
QM/MM-MD Studies on the Degradation Mechanism and Size Effect of PET by PETase
The Journal of Physical Chemistry B·2025· 3 cited
Modeling Enzyme Reaction and Mutation by Direct Machine Learning/Molecular Mechanics Simulations
Journal of Chemical Theory and Computation·2025· 6 cited
Dynamic behavior and safety assessment of vertical fall-arrest system with flexible tracks for transmission tower under falling impact load
Engineering Failure Analysis·2025· 1 cited
Correction to “Visualizing Stereodynamics in Cold Collisions through Shape Resonance Wavefunctions”
The Journal of Physical Chemistry Letters·2025· 1 cited
Templated Fabrication of DNA-Programmable Vesicles via Amphiphile-Functionalized Nanoparticles
Macromolecules·2025· 4 cited
Cold H + O2 collisions: Impact of resonances, geometric phase, and alignment
The Journal of Chemical Physics·2025· 4 cited
Visualizing Stereodynamics in Cold Collisions through Shape Resonance Wavefunctions
The Journal of Physical Chemistry Letters·2025· 7 cited
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Frequent Co-authors

Hua Guo(34), Bin Jiang(9), Sen Lin(9), Chuanxiu Xu(7), Jun Li(7), Shi Ying Lin(7), Changjian Xie(6), Dong H. Zhang(5), Feiteng Wang(5), Pascal Honvault(5), Zhigang Sun(4), Jianyi Ma(4), Dingguo Xu(4), Li Che(3), Xueming Yang(3), Minghui Yang(3), David R. Yarkony(3), Richard Dawes(3), Joel M. Bowman(3), Lijun Yang(3)