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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

C. Bo

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2 papers indexed here

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Open access Jul 2026

SURFXsim: Free-Energy Simulations of Spin-Forbidden Events with a Spin-Gap Collective Variable

Spin-forbidden processes are central to catalysis, photochemistry, and transition-metal reactivity, yet their simulation remains challenging because the relevant transformations proceed between potential energy surfaces of different spin multiplicities and are frequently thermally activated rare events. Existing comput...

Ajmal Rahman Mullukkandy, B. Ensing, C. Bo et al. · 0 citations
Open access Aug 2026

POMsDB: a QM derived molecular properties and parameters database for Polyoxometalates

Polyoxometalates (POMs) are an important class of anionic inorganic compounds because of their rich structural chemistry and properties. POMsDB is a freely accessible database for POMs that collects molecular properties (optimized atomic coordinates, energies, IR spectrum, atomic charges) and force-field (FF) parameter...

Mireia Segado-Centellas, Albert Masip-Sánchez, C. Bo · 0 citations

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