Structural Constraint Integration in a Generative Model for the Discovery of Quantum Materials

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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. (2025). Structural Constraint Integration in a Generative Model for the Discovery of Quantum Materials. Nature Materials 25, 223-230.
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