A generative model for inorganic materials design.

ABSTRACT: The design of functional materials with desired properties is essential in driving technological advances in areas such as energy storage, catalysis and carbon capture^1-3. Generative models accelerate materials design by directly generating new materials given desired property constraints, but current methods have a low success rate in proposing stable crystals or can satisfy only a limited set of property constraints^4-11. Here we present MatterGen, a model that generates stable, diverse inorganic materials across the periodic table and can further be fine-tuned to steer the generation towards a broad range of property constraints. Compared with previous generative models^4,12, structures produced by MatterGen are more than twice as likely to be new and stab

SUBMITTER: Zeni C 

PROVIDER: S-EPMC11922738 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature