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cs.AI2026
An Agentic Orchestration of Atomistic Simulations
Rahul Somasundaram, Adela Habib, Khanh Dang +12
Atomistic simulations are central to materials design, but their execution involves complex, multi-step workflows that require significant human expertise. Here, we present an agen…
cs.AI2026
URSA: The Universal Research and Scientific Agent
Michael Grosskopf, Nathan Debardeleben, Russell Bent +10
Large language models (LLMs) have moved far beyond their initial form as simple chatbots, now carrying out complex reasoning, planning, writing, coding, and research tasks. These s…