Nguyen Tuan Hung

Conflicts of Interest The authors declare no conflicts of interest. Data Availability Statement All data that support the findings of this study are included within the article (and the ). Supporting Information Filename Description Paper-SI-20260102.pdfPDF document, 14.3 MB Paper-SI-20260102.pdf References 1, , , and , “Crystallographic Orientation Dependence of Mechanical Properties in the Superelastic Ti–24Nb–4Zr–8Sn Alloy,” Physical Review Materials 3, no. 6 (2019): 063608.

Abstract Materials design is an important component of modern science and technology, yet traditional approaches rely heavily on trial and error and can be inefficient. Computational techniques, enhanced by modern artificial intelligence, have reshaped the landscape of designing new materials. Among these approaches, inverse design has shown great promise in designing materials that meet specific property requirements.

Abstract Billions of organic molecules have been computationally generated, yet functional inorganic materials remain scarce due to limited data and structural complexity. Here we introduce Structural Constraint Integration in a GENerative model (SCIGEN), a framework that enforces geometric constraints, such as honeycomb and kagome lattices, within diffusion-based generative models to discover stable quantum materials candidates.