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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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V. Neuman

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Open access Aug 2026

An Energy Landscape for Elemental Carbon

The potential energy surface of an 8-atom periodic cell of carbon is explored using discrete path sampling with the energy, forces, and stress tensor represented by the MACE-MATPES-r2SCAN-0 potential evaluated via an interface to the Atomic Simulation Environment. The resulting enthalpy landscape is explored as a fun...

V. Neuman, Soon Woo Park, M. Wilson et al. · 0 citations

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