SOURCE-LINKED INTELLIGENCE

Topology-Stratified Materials Discovery with A Flow-Based Generative Model

arXiv · AI, language, vision and robotics · article · Sep 22, 2026 · UTC

Accurate generation of crystal structures is the foundation to the discovery of high-performance materials for extreme-environment applications, such as aerospace, additive manufacturing, and fusion energy systems. Although generative modeling has emerged as a promising approach for crystal design, its performance remains limited by the complex crystal structures and diverse chemical compositions. In this work, we develop UFO-MGen, a universal flow-based generative model that learns topological features of Wyckoff representations and leverages this information to accurately generate crystals a

Read original source ↗ Open in workspace

recordType

paper

region

Global