Competing Hydrogenation Pathways to Metastable CaH${}_6$ Revealed by Machine-Learning-Potential Molecular Dynamics

Ryuhei Sato, Peter I. C. Cooke, Maélie Caussé +8

The synthesis of the high-$T_c$ superhydride CaH${}_6$ has stimulated significant interest in understanding synthesis pathways for metastable hydrides. However, the microscopic mecha…