RESEARCH PAPER · Physical Chemistry Chemical Physics · 2023
Dissociation cross sections and rates in O 2 + N collisions: molecular dynamics simulations combined with machine learning
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Molecular dynamics simulations in hydrogel research and its applications in energy utilization: A review
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Read original paper ↗ ·State-to-state dynamics and machine learning predictions of inelastic and reactive O(3P) + CO(1∑+) collisions relevant to hypersonic flows
The Journal of Chemical Physics · 2024-05-02
Xia Huang, Xinlu Cheng
Read original paper ↗ ·Exhaustive State-to-State Cross Sections and Rate Coefficients for Inelastic N2–N2 Collisions using QCT Combined with Neural Network Models
The Journal of Physical Chemistry A · 2024-07-02
Changmin Guo, Hong Zhang, Xinlu Cheng
Read original paper ↗ ·Machine-learning models for atom-diatom reactions across isotopologues
Physical Review A · 2024-09-16
Daniel Julian, Rian Koots, Jesús Pérez‐Ríos
Read original paper ↗ ·Exploring quantum tunneling in heavy atom reactions using a rigorous theoretical approach to the dynamics: formation of NO + O from the N + O 2 atmospheric reaction
Physical Chemistry Chemical Physics · 2025-01-01
Fabrizio Esposito, Pablo Gamallo, Miguel González, Carlo Petrongolo
Read original paper ↗ ·Vibrational excitation and dissociation processes in high-temperature N2-O2 state-to-state collisions based on neural network and dynamic simulation
Acta Physica Sinica · 2025-01-01
Changmin Guo, Hong Zhang, Xinlu Cheng
Read original paper ↗ ·State-specific dissociation dynamics on a global potential energy surface of N(4Su) + C2(a3Πu): Machine learning-driven molecular simulations
The Journal of Chemical Physics · 2025-08-25
Jia-Rui Zhang, Hong Zhang, Xinlu Cheng
Read original paper ↗ ·Machine learning prediction of a chemical reaction over 8 decades of energy
Physical Review Research · 2025-11-12
Daniel Julian, Jesús Pérez‐Ríos
Read original paper ↗ ·High-Temperature Transport Collision Integrals for O 2 +N Collisions
The Journal of Physical Chemistry A · 2025-11-28
Wen‐Sheng Zhao, Qizhen Hong, Zoujun Yao, Quanhua Sun, Yong Xing Cao, Yuan Hu
Read original paper ↗ ·Unveiling state-specific total-exchange dynamics in high-temperature N2–N2/N2–O2 collisions via QCT and neural-network modeling
The Journal of Chemical Physics · 2026-03-23
Yongxin Hu, Changmin Guo, Jian-Yi Ma
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