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Showing 2025 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2025★ 13 cited
The Rise of Generative AI for Metal-Organic Framework Design and Synthesis
Chenru Duan, Aditya Nandy, Shyam Chand Pal +17
Advances in generative artificial intelligence are transforming how metal-organic frameworks (MOFs) are designed and discovered. This Perspective introduces the shift from laboriou…
cond-mat.mtrl-sci2025★ 1 cited
Antisymmetry rules of response properties in certain chemical spaces
Takafumi Shiraogawa, Simon León Krug, Masahiro Ehara +1
Understanding chemical compound space (CCS), a set of molecules and materials, is crucial for the rational discovery of molecules and materials. Concepts of symmetry have recently…