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Sep 2026

Tracing Covalent Organic Framework Assembly through Kinetic Deceleration

The formation mechanisms of covalent organic frameworks (COFs) have long been hypothesized but rarely substantiated by direct experimental evidence. Gaining mechanistic insights into this process is essential for the rational design and scalable synthesis of COFs. In this study, we employed the Schiff-base condensati...

Hao-Yuan Zhang, Chun-Qing Ji, Hao Yang et al. · 0 citations
Preprint Aug 2026

An LLM agent for end-to-end computational materials discovery

By connecting the heterogeneous stages of computational materials discovery, the LLM-based agents of MAESTRO can operate across application domains and uncover high-performance materials that conventional screening approaches would be unlikely to consider.

Yun-Tong Chen, Ju Huang, Yu Liu et al. · 0 citations

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