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ResearchSeptember 12, 2026

Autonomous Chemical Mechanistic Discovery through Agentic Reasoning and Validation

arXiv:2609.11147v1 Announce Type: new Abstract: Unraveling reaction mechanisms is central to modern chemistry, yet automating these investigations remains challenging because computational workflows still rely heavily on expert intervention. Here we introduce ARCHE, an…

Dong Li, Sixuan Mi, Zihao Ye, Huan Xiong, Tao XU, Tong Zhu, Aijia Zhang, Junqi Gao, Kaiyan Zhang, Shijie Wang, Bowen Zhou, Yuqiang Li, Biqing Qi·arXiv — cs.AI
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  • 01.arXiv:2609.11147v1 Announce Type: new Abstract: Unraveling reaction mechanisms is central to modern chemistry, yet automating these investigations remains challenging because computational workflows still rely heavily on expert intervention
  • 02.Here we introduce ARCHE, an…

This material is provided as an extended analytical summary.

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