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Dan Zhao

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Open access Oct 2026

Precise molecular sieving in polycrystalline covalent organic framework membranes

Covalent organic frameworks (COFs) unlock opportunities to unite rapid mass transport with molecular-level sieving through membranes. However, achieving long-range crystallographic order within these membranes remains a central challenge that limits their separation precision. Here, we report a monomer-driven strategy...

Xian-Song Shi, Hai-Pei Shao, Xin Zhang et al. · 0 citations
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
#artificial intelligence Open access Sep 2026

Atoms to Processes: The Role of Artificial Intelligence and Machine Learning in Chemical Engineering

The rapid maturation of artificial intelligence (AI) and machine learning (ML) has catalyzed a profound shift in how chemical engineering problems are formulated, analyzed, and solved. Advances in computing, data availability, and learning algorithms have enabled AI/ML methods to impact applications spanning atomic-s...

Michael Baldea, L. Broadbelt, M. Ierapetritou 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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