SbCD is a crystal diffusion model that learns space-group transitions with a Markovian jump process and generates complete crystallographic specifications from a P1 prior.
Chemical synthesis and materials discovery.Nature Synthesis, 1(7):514–520, 2022
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Symmetry-Breaking De Novo Crystal Generation via Markovian Jump Diffusion
SbCD is a crystal diffusion model that learns space-group transitions with a Markovian jump process and generates complete crystallographic specifications from a P1 prior.