Engineering and Technologynpj Computational Materials
Deep Generative Modeling of Two-Dimensional Crystals
P. Lyngby and K. Thygesen
This research by P. Lyngby and K.S. Thygesen delves into the innovative use of a Crystal Diffusion Variational Autoencoder (CDVAE) paired with a lattice decoration protocol (LDP) to create new two-dimensional crystals. The findings showcase how CDVAE excels in generating a wider array of stable 2D materials compared to LDP.
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