HIGHLIGHTS
- who: Livia B. Pártay from the Department of Chemistry, University of Warwick, Coventry , AL, UK have published the paper: Nested sampling for materials, in the Journal: Eur. Phys. J. B (2021) 94 :159 of /2021/
- what: The authors describe how NS can be adapted to sample the potential energy surface (PES) of atomistic systems providing a straightforward approximation for the partition function and allowing the evaluation of thermodynamic variables at arbitrary temperatures. While this approach has been explored for other applications of NS, it has not been widely used in materials. While all of . . .
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