#generative ai
Sep 2026
COFFlow: Building-Block-Based Generative Modeling for Two-Dimensional Covalent Organic Framework Discovery
Two-dimensional covalent organic frameworks (2D COFs) are promising porous materials with vast yet largely unexplored design space arising from diverse building blocks (BBs) and crystal topologies. Efficient crystal structure prediction (CSP) and inverse design of 2D COFs therefore remain highly challenging. Here, we...
Yuan-Hui Pan, Yun-Rui Yan, Cheng Zeng et al.
· Chemistry of Materials · 0 citations