Machine Learning Potentials for Hydrogen Absorption in TiCr${}_2$ Laves Phases

Pranav Kumar, Fritz Körmann, Blazej Grabowski +1

The energetics of hydrogen absorption in C15 cubic and C14 hexagonal TiCr${}_2$H${}_x$ Laves phases is investigated for $0<x\le 6$ with density functional theory (DFT) and machine l…