A review of generative AI for inverse design of inorganic compounds, analyzing adaptations for their complexity in composition, geometry, symmetry, and electronic structure, with discussion of future benchmarks and synthesizability metrics.
M.et al.Porous materials: The next frontier in energy technologies.Science390, eadn9391 (2025)
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Inverse Design of Inorganic Compounds with Generative AI
A review of generative AI for inverse design of inorganic compounds, analyzing adaptations for their complexity in composition, geometry, symmetry, and electronic structure, with discussion of future benchmarks and synthesizability metrics.