SymADiT generates stable symmetric materials by enforcing Wyckoff-position and space-group constraints inside a latent generative model built on the prior ADiT architecture.
Crystal structure prediction by joint equivariant diffusion.Advances in Neural Information Processing Systems, 36:17464–17497
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A fine-tuned LLM called Perovskite-R1, built from curated perovskite literature and material libraries, proposes precursor additives and designs with some experimental validation showing improved stability and performance.
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Generating Symmetric Materials using Latent Flow Matching
SymADiT generates stable symmetric materials by enforcing Wyckoff-position and space-group constraints inside a latent generative model built on the prior ADiT architecture.
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Perovskite-R1: a domain-specialized large language model for intelligent discovery of precursor additives and experimental design
A fine-tuned LLM called Perovskite-R1, built from curated perovskite literature and material libraries, proposes precursor additives and designs with some experimental validation showing improved stability and performance.