Multi-property directed generative design of inorganic materials through Wyckoff-augmented transfer learning

Shuya Yamazaki, Wei Nong, Ruiming Zhu, Kostya S. Novoselov, Andrey E Ustyuzhanin, Kedar Hippalgaonkar

Keywords: materials discovery, crystal generative model, inverse design, space group symmetry, Wyckoff symmetry

TL;DR: A multi-property directed generative framework for the space group-informed inverse design of novel inorganic crystalline materials

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Submission Number: 262