We obtain improved estimates of the excess chemical potential of model fluids from complementary regions of the energy distributions for particle insertion and removal beyond the overlapping region used in Bennett's overlapping distribution method. Comparisons are also made with Bennett’s acceptance ratio method in applications to models for bulk water. The technique is extended to calculations of the excess chemical potential in confined spaces such as cavities and nanotubes.

Improved estimates of the excess chemical potential from particle insertion and removal

254th National Meeting (2017)

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