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cs.AI2026
Large language model agents accelerate inverse design of metal-organic frameworks for gas separation
Zhaolin Hu, Hehe Fan, Wangyihan Guo +4
Metal-organic frameworks (MOFs) offer a highly modular platform for adsorptive gas separation, yet their vast reticular design space makes inverse design difficult under simultaneo…
cs.CV2026
Skill-3D: Evolving Scene-Aware Skills for Agentic 3D Spatial Reasoning
Haoyuan Li, Zhengdong Hu, Jun Wang +2
This paper explores agentic 3D spatial understanding, i.e., MLLM agents performing 3D reasoning through tool use. Existing methods often misuse tools and exhibit biased tool prefer…
cs.CE2026
OSCAgent: Accelerating the Discovery of Organic Solar Cells with LLM Agents
Zhaolin Hu, Zhiliang Wu, Kun Li +2
Organic solar cells (OSCs) hold great promise for sustainable energy, but discovering high-performance materials is time-consuming and costly. Existing molecular generation methods…