Structural analysis of high-dimensional basins of attraction.

  title={Structural analysis of high-dimensional basins of attraction.},
  author={Stefano Martiniani and K. Julian Schrenk and Jacob D. Stevenson and David J. Wales and Daan Frenkel},
  journal={Physical review. E},
  volume={94 3-1},
We propose an efficient Monte Carlo method for the computation of the volumes of high-dimensional bodies with arbitrary shape. We start with a region of known volume within the interior of the manifold and then use the multistate Bennett acceptance-ratio method to compute the dimensionless free-energy difference between a series of equilibrium simulations performed within this object. The method produces results that are in excellent agreement with thermodynamic integration, as well as a direct… 

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