533 citations · 567 across the 11 of their papers we have counts for
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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…
El Agente Sólido: A New Age(nt) for Solid State Simulations
Sai Govind Hari Kumar, Yunheng Zou, Andrew Wang +8
Quantum chemistry calculations are a key component of the materials discovery process. The results from first-principles explorations enable the prediction of material properties p…
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…
El Agente Quntur: A research collaborator agent for quantum chemistry
Juan B. Pérez-Sánchez, Yunheng Zou, Jorge A. Campos-Gonzalez-Angulo +12
Quantum chemistry is a foundational enabling tool for the fields of chemistry, materials science, computational biology and others. Despite of its power, the practical application…