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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

Sergi Vela

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2 papers indexed here

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Open access 2026

SCOPE: A Chemically-Aware Workflow Automation Software for Molecules and Molecular Crystals

Large-scale computational chemistry studies increasingly rely on automated and reproducible workflows to explore chemical space. In practice, these workflows typically involve multiple tools for chemical representation, quantum chemistry jobs execution,...

Sergi Vela, Manel Serrano · 0 citations
Open access Aug 2026

Disclosing Trends on C(1s) Core-Level Binding Energies of MXene Flakes: Metal, Size and Edge Effects

The C(1s) core-level binding energies (CLBE) of realistic MXene finite systems were investigated using density functional theory (DFT). The ΔSCF approach was employed to explicitly account for final state effects. MXene flakes with M2CT x stoichiometry (M = Sc, Y, Ti, Zr, Hf, V, Nb, and Ta, where T x denotes surface te...

Miquel Allés, Sergi Vela, C. Sousa et al. · 0 citations

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