Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization ...

† Institute for Inorganic Chemistry and Analytical Chemistry, Johannes Gutenberg-University Mainz, 55128 Mainz, Germany ‡ Particle Chemistry Department, Max Planck Institute for Chemistry, 55128 Mainz ...

Superhydrides are materials that can store significantly more hydrogen than conventional hydrides and present a highly ...