Oct 2026
Agentic AI systems for scientific discovery
Bin Feng, Peter Walther, Lei-Li Zhang et al.
· Nature Reviews Methods Prime... · 0 citations
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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