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cond-mat.stat-mech2012
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…
cond-mat.stat-mech2009★ 3 cited
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)…