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20242026
most citedCrystal orbital overlap population based on all-electron ab initio simulation with numeric atom-centered orbitals and its application to chemical-bonding analysis in Li-intercalated layered materials

11 citations · 33 across the 24 of their papers we have counts for

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cs.AI2026

Toward Auditable AI Scientists: A Hypothesis Evolution Protocol for LLM Agents

Izumi Takahara, Teruyasu Mizoguchi

Large language model (LLM) agents are increasingly expected to play a central role in AI-driven scientific discovery. Equipped with broad knowledge, flexible reasoning, and tool us…