An adapter-based classifier-free guidance framework steers a pre-trained crystal diffusion model toward target properties and higher symmetry, with MLIP-based screening reporting modest success rates for stable magnetic and hard materials.
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Property-Guided Diffusion for Inverse Design of Crystalline Materials
An adapter-based classifier-free guidance framework steers a pre-trained crystal diffusion model toward target properties and higher symmetry, with MLIP-based screening reporting modest success rates for stable magnetic and hard materials.