AI RESEARCH
Harnessing AtomisticSkills for Agentic Atomistic Research
arXiv CS.AI
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ArXi:2605.24002v1 Announce Type: cross Computational materials science and chemistry span vast knowledge domains and fractured software ecosystems. Although large language models (LLMs) have nstrated research capabilities, scaling monolithic agents to manage the rigor and complexity of atomistic research remains a challenge. Here, we