Author

Changhyeok Choi

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#artificial intelligence Preprint Sep 2026

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. · 0 citations

#artificial intelligence Feb 2026

El Agente Quntur: A research collaborator agent for quantum chemistry

El Agente Quntur is introduced, a hierarchical, multi-agent AI system designed to operate not merely as an automation tool but as a research collaborator for computational quantum chemistry, and a roadmap toward a fully autonomous end-to-end computational chemistry research agent.

Juan B. Pérez-Sánchez, Yun-Heng Zou, Jorge A. Campos-Gonzalez-Angulo et al. · Chem · 6 citations