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

• Some examples of these techniques can be found in the following 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)