Finite-size scaling of a machine-learned potential trained on PBE density functional theory shows hydrogen's liquid-liquid transition is genuinely first-order, with a critical point at 1250 ± 50 K and 155 to 160 GPa.
Only five jumps occurred in 200 ps, which makes an ab-initio study of the transition in this 2048 atom sys- tem costly
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The liquid-liquid phase transition of hydrogen and its critical point: Analysis from ab initio simulation and a machine-learned potential
Finite-size scaling of a machine-learned potential trained on PBE density functional theory shows hydrogen's liquid-liquid transition is genuinely first-order, with a critical point at 1250 ± 50 K and 155 to 160 GPa.