3 papers
cond-mat.mtrl-sci2026
Benchmarking empirical and machine-learned interatomic potentials using phase diagram predictions for Lead
Tom Hellyar, Pascal T. Salzbrenner, Peter I. C. Cooke +3
We compare the predicted phase behaviour of lead (Pb) using three different interatomic potential models, including an embedded atom method (EAM), a modified embedded atom method (…
cond-mat.mtrl-sci2026
Competing Hydrogenation Pathways to Metastable CaH Revealed by Machine-Learning-Potential Molecular Dynamics
Ryuhei Sato, Peter I. C. Cooke, Maélie Caussé +8
The synthesis of the high- superhydride CaH has stimulated significant interest in understanding synthesis pathways for metastable hydrides. However, the microscopic mecha…
cond-mat.supr-con2025
Metastability and high-Tc superconductivity in A15-type ternary hydride YSbH6 at moderate pressure
Maélie Caussé, Kieran Bozier, Peter I. C. Cooke +2
The discovery of high-temperature superconductors remains a central challenge in materials science. Hydrogen-rich compounds are among the most promising candidates, as they can exh…