General-purpose LLMs as constrained crystal composition generators
Abstract The targeted discovery of inorganic materials remains challenging due to the vastness of compositional design spaces and the high cost of exhaustive screening. Task-specific generative artificial intelligence represents a particularly efficient alternative to screening, yet demands tedious collection of traini...
Hedda Oschinski, Maximilian L. Ach, Konstantin S. Jakob et al.
· npj Computational Materials · 0 citations