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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

Qi-Jing Zheng

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2 papers indexed here

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Aug 2026

Stacking-Engineered Ultrafast Charge Separation in Type-I Silicane/Germanane van der Waals Heterostructures

Stacking engineering in van der Waals heterostructures offers a powerful route to modulating band alignment and carrier dynamics. Here, we present a theoretical investigation of SiH/GeH van der Waals heterostructures with different stacking configurations. Distinct stacking-dependent band alignments are identified, w...

Guoying Yao, Ekadashi Pradhan, Qi-Jing Zheng et al. · 0 citations
Open access Oct 2026

Photoexcited Polaron Dynamics in Rutile TiO 2 from First-Principles On-the-Fly Surface Hopping

Photoinduced polaron dynamics challenges the classical path approximation (CPA), which prescribes nuclear motion on a single potential-energy surface (PES). To overcome this limitation, we use ΔSCF-based on-the-fly surface hopping involving both ground- and excited-state PESs to study photoexcited polaron dynamics...

Chang Gao, Qi-Jing Zheng, Jin Zhao · 0 citations

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