Multi-target digital material design via a conditional denoising diffusion probability model

Abstract Multi-target digital material design has been challenging due to the expansive design space and instability of traditional methods in satisfying multiple objectives. This work proposes and demonstrates a customizer based on a classifier-free, conditional denoising diffusion probability mode...

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Bibliographic Details
Main Authors: Wei Yue, Yuan Gao, Zhenliang Pan, Fanping Sui, Liwei Lin
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01759-3
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