Chemical potential calculations in non-homogeneous liquids.

@article{Perego2018ChemicalPC,
  title={Chemical potential calculations in non-homogeneous liquids.},
  author={C. Perego and O. Valsson and M. Parrinello},
  journal={The Journal of chemical physics},
  year={2018},
  volume={149 7},
  pages={
          072305
        }
}
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… Expand
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References

SHOWING 1-10 OF 39 REFERENCES
Determination of phase equilibria in confined systems by open pore cell Monte Carlo method.
Direct first-principles chemical potential calculations of liquids.
...
1
2
3
4
...