Reverse Monte Carlo

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Reverse Monte Carlo (RMC) is a variation of the standard Metropolis Monte Carlo (MMC) method. It is used to produce a 3 dimensional atomic model that fits a set of measurements (Neutron-, X-ray-diffraction, EXAFS etc.).

References

R.L.McGreevy and L. Pusztai, Mol. Simulation, 1 359-367 (1988)

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