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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

Nada Alghamdi

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2 papers indexed here

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Open access Sep 2026

Screening novel cathode materials from the Energy-GNoME database using foundation machine learning force fields and DFT

The development of new cathodes is essential for enabling next generation energy storage technologies. Here, we introduce a multi-fidelity workflow that bridges AI-based candidate identification and density functional theory refinement for accelerated discovery of cathode materials. Starting from the Energy-GNoME dat...

Nada Alghamdi, P. de Angelis, P. Asinari et al. · 0 citations
Open access Jul 2026

Host–guest complexation of progesterone with β-cyclodextrin derivatives: hydration structure, binding thermodynamics, and loading pathways from molecular dynamics simulations

Results show that R2 functionalization strongly modulates both directional selectivity of guest entry and the free-energy landscape of encapsulation in progesterone encapsulation and may guide the rational design of CD-based delivery systems.

Faezeh Mobini, M. Provenzano, Nada Alghamdi et al. · 0 citations

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