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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

Anastassia N. Alexandrova

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2 papers indexed here

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Open access Aug 2026

Role of Bismuth Topological and Trivial Surface States in Molecular Adsorption.

Topological materials have recently been proposed as a new class of catalysts, where robust surface states near the Fermi level are expected to influence adsorption and reactivity. In this Letter, using first-principles calculations, we systematically investigate molecular adsorption on bismuth (Bi) slabs across a wide...

Xuance Jiang, Guorong Weng, Paris Zhang et al. · 0 citations
Open access Sep 2026

Quantum-Chemically Informed Representation Learning for Molecular Crystal Property Prediction via Multimodal Graph Neural Networks

Analysis of the learned representations reveals that QTAIM descriptors contribute interpretable signals associated with intermolecular interactions and density redistribution within the crystal, highlighting the value of quantum-informed learning for advancing data-driven solid-state modeling.

Ferdawss Ihiri, M. Garcia-Garibay, Anastassia N. Alexandrova · 0 citations

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