Massive discovery of crystal structures across dimensionalities by leveraging vector quantization
Abstract Discovering new functional crystalline materials through computational methods remains a challenge in materials science. We introduce VQCrystal, a deep learning framework leveraging discrete latent representations to overcome key limitations to crystal generation and inverse design. VQCryst...
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| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-06-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-025-01613-6 |
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