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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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Pavel A. Dub

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Aug 2026

Automated Reaction Network Enumeration and Profiling Platform for Mechanism-Guided Catalyst Design and Reactivity Optimization.

RxnEnumProfiler is presented, a highly automated, GUI-enabled software platform for mechanism-guided molecular catalyst design and reactivity optimization that integrates quantum mechanical methods, semiempirical tight-binding approaches, and reactive machine-learning interatomic potentials into a unified end-to-end wo...

Pavel A. Dub, Thomas F. Hughes, T. Mustard · 0 citations

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