AtomisticSkills is a new harness framework with 100+ human-curated skills that lets general AI agents perform atomistic research tasks including simulations, screening, and analysis, shown on electrolyte design, CO2 capture, drug screening, and catalyst tasks.
arXiv:2505.08195 [physics.comp-ph]
3 Pith papers cite this work. Polarity classification is still indexing.
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Pith papers citing it
years
2026 3verdicts
UNVERDICTED 3representative citing papers
El Agente Estructural is a new multimodal agent that performs natural-language-driven 3D molecular geometry editing and generation using integrated domain tools and vision-language models.
Paimon is an agentic framework that automates atomistic simulations and improves reliability by suppressing silent errors in agent workflows, demonstrated on liquid electrolyte cases and literature reproduction.
citing papers explorer
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Harnessing AtomisticSkills for Agentic Atomistic Research
AtomisticSkills is a new harness framework with 100+ human-curated skills that lets general AI agents perform atomistic research tasks including simulations, screening, and analysis, shown on electrolyte design, CO2 capture, drug screening, and catalyst tasks.
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El Agente Estructural: An Artificially Intelligent Molecular Editor
El Agente Estructural is a new multimodal agent that performs natural-language-driven 3D molecular geometry editing and generation using integrated domain tools and vision-language models.
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A Robust Agentic Framework for Expert-Level Automation of Atomistic Simulations
Paimon is an agentic framework that automates atomistic simulations and improves reliability by suppressing silent errors in agent workflows, demonstrated on liquid electrolyte cases and literature reproduction.