El Agente Potente: High-Throughput Agentic Atomistic Simulations
This work introduces El Agente Potente, an agentic system that combines typed execution graphs with a complementary coding mode for MLIPs-driven atomistic simulations, and establishes typed execution graphs and code-based workflow construction as complementary mechanisms for agentic scientific computing.
Tsz-Wai Ko, Jia-Ru Bai, Thomas Swanick et al.
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