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physics.comp-ph2025
Probing the partition function for temperature-dependent potentials with nested sampling
Lune Maillard, Philippe Depondt, Fabio Finocchi +4
Thermodynamic properties can be in principle derived from the partition function, which, in many-atom systems, is hard to evaluate as it involves a sum on the accessible microscopi…
physics.comp-ph2025★ 1 cited
Nested Sampling for Exploring Lennard-Jones Clusters
Lune Maillard, Fabio Finocchi, César Godinho +1
Lennard-Jones clusters, while an easy system, have a significant number of non equivalent configurations that increases rapidly with the number of atoms in the cluster. Here, we ai…