DAO pretrains Siamese diffusion-based models on stable/unstable crystal data to achieve 100% experimental match on Cr6Os2 and 2000x speedup over DFT on real superconductors.
High-throughput identification and characterization of two-dimensional materials using density functional theory
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Siamese Foundation Models for Crystal Structure Prediction
DAO pretrains Siamese diffusion-based models on stable/unstable crystal data to achieve 100% experimental match on Cr6Os2 and 2000x speedup over DFT on real superconductors.