Structure-Agnostic Prediction of the Electronic Density of States with a Chemical Language Model

The electronic density of states (DOS) is conventionally computed from a relaxed crystal structure, which is unavailable for compounds that have been neither synthesized nor cataloged.

The electronic density of states (DOS) is conventionally computed from a relaxed crystal structure, which is unavailable for compounds that have been neither synthesized nor cataloged. Here we introduce DOSSIER ($\textbf{D}$ensity $\textbf{o}$f $\textbf{S}$tates from…