Search Results for author: Tomoya Itakura

Found 2 papers, 0 papers with code

Crystal-LSBO: Automated Design of De Novo Crystals with Latent Space Bayesian Optimization

no code implementations28 May 2024 Onur Boyar, Yanheng Gu, Yuji Tanaka, Shunsuke Tonogai, Tomoya Itakura, Ichiro Takeuchi

Generative modeling of crystal structures is significantly challenged by the complexity of input data, which constrains the ability of these models to explore and discover novel crystals.

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