Inverse Monte Carlo

Inverse Monte Carlo refers to the numerical techniques to solve the so-called inverse problem in fluids. Given the structural information (distribution functions) the inverse Monte Carlo technique tries to compute the corresponding interaction potential.

More information can be found in the review by Gergely Tóth (See the references)

Uniqueness theorem

The uniqueness theorem is due to Henderson (Ref. 3).

References

1. N. G. Almarza and E. Lomba, "Determination of the interaction potential from the pair distribution function: An inverse Monte Carlo technique", Phys. Rev. E 68, 011202 (2003) (6 pages)
2. N. G. Almarza, E. Lomba, and D. Molina. "Determination of effective pair interactions from the structure factor", Phys. Rev. E 70, 021203 (2004) (5 pages)
3. R. L. Henderson "A uniqueness theorem for fluid pair correlation functions", Physics Letters A 49 pp. 197-198 (1974)
4. Gergely Tóth, Interactions from diffraction data: historical and comprehensive overview of simulation assisted methods, J. Phys.: Condens. Matter 19, 335220 (2007)(18pp)