Reverse Monte Carlo



Reverse Monte Carlo (RMC) is a simulation method, based on a variation of the Metropolis algorithm, which allows one to solve an inverse problem by adjusting the parameters of the model till the good consistency with experimental data is obtained.

In our laboratory, we use it to perform interpretation of the EXAFS spectra by reconstructing the 3D atomic structure of the solid. The use of the RMC method allows us to overcome problems related to accurate accounting for disorder effects beyond the first coordination shell of the absorbing atom, in the region, where the contribution of the multiple-scattering (MS) effects, related to many-atom correlation functions, is not negligible.


More information can be obtained from



USEFUL LINKS

  • Reverse Monte Carlo (RMC) pages at the ISIS facility.
  • RMCProfile - the RMC code for crystalline and disordered materials.
  • RMC-POT++ - the RMC algorithm for deriving structures of disordered materials from mainly diffraction data.

  • DIFFUSE package: a set of three codes (DISCUS, PDFFIT, KUPLOT) for diffuse scattering analysis.







  • This page is maintained by Alexei Kuzmin (a.kuzmin@cfi.lu.lv).