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20212026
most citedScalable deeper graph neural networks for high-performance materials property prediction

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cond-mat.mtrl-sci2026

uFlowCSP: Crystal Structure Prediction using Mean flow generative models

Sourin Dey, Dipannoy Das Gupta, Lai Wei +2

Crystal structure prediction (CSP) is fundamental to computational materials discovery. Generative models including CDVAE, DiffCSP, FlowMM, and CrystalFlow learn stable-crystal dis…