Chemical potential calculations in non-homogeneous liquids.

  title={Chemical potential calculations in non-homogeneous liquids.},
  author={Claudio Perego and Omar Valsson and Michele Parrinello},
  journal={The Journal of chemical physics},
  volume={149 7},
The numerical computation of chemical potential in dense non-homogeneous fluids is a key problem in the study of confined fluid thermodynamics. To this day, several methods have been proposed; however, there is still need for a robust technique, capable of obtaining accurate estimates at large average densities. A widely established technique is the Widom insertion method, which computes the chemical potential by sampling the energy of insertion of a test particle. Non-homogeneity is accounted… 

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