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cond-mat.mtrl-sci2024★ 1 cited
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…
cond-mat.mtrl-sci2021★ 9 cited
Phonons of metallic hydrogen with quantum Monte Carlo
Kevin Ly, David Ceperley
We describe a simple scheme to perform phonon calculations with quantum Monte Carlo (QMC) methods, and demonstrate it on metallic hydrogen. Because of the energy and length scales…