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cond-mat.mtrl-sci2026
A low-symmetry ground state of dense two-dimensional hydrogen
Cesare Cozza, Chris J. Pickard, Guglielmo Mazzola
Hydrogen under pressure is an extremely complex system featuring molecular dissociation, metallization, and anomalous melting. While bulk hydrogen has been studied for nearly a cen…
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 +7
The synthesis of the high- superhydride CaH has stimulated significant interest in understanding synthesis pathways for metastable hydrides. However, the microscopic mecha…