Daiqian Xie

80PUBLICATIONS
58CO-AUTHORS
Complex systemsChemical and thermal processes in energy and combustionChemical thermodynamics and energeticsLasers and quantum electronicsDeep learning
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Publications (80)

|Aug 31, 2026
Enhancing Machine-Learned Electrostatic Models with Linear Response Theory for Multiscale Simulations in Enzymes.

|Jul 16, 2026
Hybrid ML/MM Simulations for Computational Enzymology: Recent Advances and Challenges.

|Apr 01, 2026
Non-monotonic energy dependence of vibrational quenching in I(2P3/2) + HBr(X1Σ+) collisions: Roles of transition-state topology and nonadiabatic effects.

Hanzi Zhang, Weigao Xu, Xixi Hu

|Mar 03, 2026
Quantum interference between direct and indirect reaction paths in the photodissociation of HOD.

Junyan Wang, Zijie Luo, Linsen Zhou

|Feb 10, 2026
Hitchhikers Guide To Training More General Machine Learning Potentials in Heterogeneous Catalysis.

Chenyu Wu, Changxi Yang, Zhening Fang

|Dec 08, 2025
Photodissociation Dynamics of H2S via the 31A' State: Dominance of Dual Intersection-Induced Barriers.

Xin Li, Junyan Wang, Junjie Chen

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Frequent Collaborators

38 joint publications

Hua Guo

36 joint publications

Xixi Hu

21 joint publications

Dongzheng Yang

11 joint publications

Yanzi Zhou