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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

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R. Nencini

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Open access Sep 2026

Water activity for n-component mixtures from molecular dynamics simulations via Kirkwood-Buff theory.

Kirkwood-Buff (KB) theory connects measurable thermodynamic properties with radial distribution functions and particle-number fluctuations accessible from molecular dynamics (MD) simulations. Although KB theory has been used to determine molar volumes, isothermal compressibilities, and solute or solvent activities from...

Pau Mayorga Delgado, R. Nencini, P. Lantto et al. · 0 citations

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