Physicsnpj Computational Materials

Score-based denoising for atomic structure identification

T. Hsu, B. Sadigh, et al.

Discover a groundbreaking method to eliminate thermal vibrations from atomistic simulations, enhancing crystal order visibility without losing defect-related disorder. This innovative approach, developed by Tim Hsu and colleagues at Lawrence Livermore National Laboratory, demonstrates impeccable accuracy on benchmark datasets.... show more

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