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cs.AI2026
El Agente Potente: High-Throughput Agentic Atomistic Simulations
Tsz Wai Ko, Jiaru Bai, Thomas Swanick +6
Foundational machine-learning interatomic potentials (MLIPs) are transforming atomistic simulations by achieving near-ab initio accuracy across large chemical spaces at a fraction…
cs.AI2026★ 3 cited
El Agente Gráfico: A Semantic Execution Runtime for Scientific Agents
Jiaru Bai, Abdulrahman Aldossary, Thomas Swanick +12
Large language models (LLMs) can plan scientific workflows and generate code, but these capabilities do not specify how scientific state is validated, transferred and recorded acro…