158 citations · 298 across the 10 of their papers we have counts for
3 papers · 1 filter
Constant-pressure nested sampling with atomistic dynamics
Robert J. N. Baldock, Noam Bernstein, K. Michael Salerno +2
The nested sampling algorithm has been shown to be a general method for calculating the pressure-temperature-composition phase diagrams of materials. While the previous implementat…
Nested sampling for materials: the case of hard spheres
Lívia B. Pártay, Albert P. Bartók, Gábor Csányi
The recently introduced nested sampling algorithm allows the direct and efficient calculation of the partition function of atomistic systems. We demonstrate its applicability to co…
Efficient sampling of atomic configurational spaces
Livia B. Pártay, Albert P. Bartók, Gábor Csányi
We describe a method to explore the configurational phase space of chemical systems. It is based on the nested sampling algorithm recently proposed by Skilling [Skilling J. (2004)…