A large-scale nanocrystal database with aligned synthesis and properties enabling generative inverse design

arXiv:2601.02424v2 Announce Type: replace-cross Abstract: The synthesis of nanocrystals has been highly dependent on trial-and-error, due to the complex correlation between synthesis parameters and physicochemical properties. Although deep learning offers a potential methodology to achieve generative inverse design, it is still hindered by the scarcity of high-quality datasets that align nanocrystal synthesis routes with their properties. Here, we present the construction of a large-scale, aligned Nanocrystal Synthesis-Property (NSP) database and demonstrate its capability for generative inver

Source: arXiv cs.AI — read the full report at the original publisher.

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