MatterGen

About this model

MatterGen is able to produce novel, unique, and stable material candidates both with and without property conditions. For property-guided generation, MatterGen is able to produce S.U.N. structures with extreme property values such as 400 GPa bulk modulus, where there are only two such structures in the labeled reference set. MatterGen outperforms both classical as well as recent deep generative model baselines.

Key model capabilities

• Generate inorganic materials candidates without property condition
• Generate inorganic materials candidates with target chemical system
• Generate inorganic materials candidates with target space group number
• Generate inorganic materials candidates with target chemical system and formation energy above the convex hull (eV/atom)
• Generate inorganic materials candidates with target band gap (eV)
• Generate inorganic materials candidates with target magnetic density (Angstrom**-3)
• Generate inorganic material