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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

Author

Hua Guo

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Open access Sep 2026

Efficient Tensorized Evaluation of Permutation Invariant Polynomials for Representing Potential Energy Surfaces

Permutation invariant polynomials (PIPs), together with related polynomial-based invariant descriptors such as fundamental invariants (FIs), are widely used in constructing high-fidelity global potential energy surfaces (PESs) of molecules that contain identical atoms. Although the monomial symmetrization approach (M...

Jun-Hong Li, Kai-Sheng Song, Hua Guo et al. · 0 citations
Preprint Aug 2026

Mode-Specific Dynamics of $\text{CO}_2$ Hydrogenation on Copper: The Hidden Role of Molecular Rotation

Catalytic hydrogenation of $\text{CO}_2$ to formate on copper is a key elementary step for $\text{CO}_2$ utilization. Previous experimental and theoretical studies suggested an Eley-Rideal mechanism for this reaction, promoted by bending vibrational excitation, yet direct state resolved evidence remains lacking. Here,...

Junfan Xia, ZhiKai Jiang, Yao-Long Zhang et al. · 0 citations

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