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CrystalReasoner: Reasoning and RL for Property-Conditioned Crystal Structure Generation

Wu, Yuyang et al.
arXiv (All) · Papers
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Generative modeling has emerged as a promising approach for crystal structure discovery. However, existing LLM-based generative models struggle with low-level atomic precision, while diffusion-based methods fall short in integrating high-level scientific knowledge. As a result, generated structures
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