Peter I C Cooke

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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 $_{6}$ Revealed by Machine-Learning-Potential Molecular Dynamics

Ryuhei Sato, Peter I. C. Cooke, Maélie Caussé +8

The synthesis of the high- $T_{c}$ superhydride CaH $_{6}$ has stimulated significant interest in understanding synthesis pathways for metastable hydrides. However, the microscopic mecha…

Benchmarking empirical and machine-learned interatomic potentials using phase diagram predictions for Lead

Competing Hydrogenation Pathways to Metastable CaH6​ Revealed by Machine-Learning-Potential Molecular Dynamics

Competing Hydrogenation Pathways to Metastable CaH $_{6}$ Revealed by Machine-Learning-Potential Molecular Dynamics