Structural Constraint Integration in a Generative Model for the Discovery of Quantum Materials
Published in Nature Materials, 2025
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We present a novel approach to integrating structural constraints in generative models for quantum material discovery, enabling more accurate predictions of material properties through advanced machine learning techniques.
Recommended citation: Okabe, R., Cheng, M., Chotrattanapituk, A., Mandal, M., Mak, K., Cordova Carrizales, D., Hung, N.T., Fu, X., Han, B., Wang, Y., Xie, W., Cava, R.J., Jaakkola, T.S., Cheng, Y., Li, M. (2024). Structural Constraint Integration in Generative Model for Discovery of Quantum Material Candidates. Nature Materials.
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