5 citations · 5 across the 3 of their papers we have counts for
3 papers
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 (…
Replica exchange nested sampling
Nico Unglert, Livia Bartók Pártay, Georg K. H. Madsen
Nested sampling (NS) has emerged as a powerful tool for exploring thermodynamic properties in materials science. However, its efficiency is often hindered by the limitations of Mar…
Neural-Network Force Field Backed Nested Sampling: Study of the Silicon p-T Phase Diagram
N. Unglert, J. Carrete, L. B. Pártay +1
Nested sampling is a promising method for calculating phase diagrams of materials, however, the computational cost limits its applicability if ab-initio accuracy is required. In th…