3 papers
cond-mat.stat-mech2024
The liquid-liquid phase transition of hydrogen and its critical point: Analysis from ab initio simulation and a machine-learned potential
Mathieu Istas, Scott Jensen, Yubo Yang +3
We simulate high-pressure hydrogen in its liquid phase close to molecular dissociation using a machine-learned interatomic potential. The model is trained with density functional t…
physics.chem-ph2024
High temperature melting of dense molecular hydrogen from machine-learning interatomic potentials trained on quantum Monte Carlo
Shubhang Goswami, Scott Jensen, Yubo Yang +3
We present results and discuss methods for computing the melting temperature of dense molecular hydrogen using a machine learned model trained on quantum Monte Carlo data. In this…
cond-mat.mtrl-sci2024
Melting of atomic hydrogen and deuterium with path-integral Monte Carlo
Kevin K. Ly, David M. Ceperley
We calculate the melting line of atomic hydrogen and deuterium up to 900 GPa with path-integral Monte Carlo using a machine-learned interatomic potential. We improve upon previous…