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We present a procedure for the determination of the interaction potentialfrom the knowledge of the radial pair distribution function. The method,realized inside an inverse Monte Carlo simulation scheme, is based on theapplication of the Maximum Entropy Principle of information theory and theinteraction potential emerges as the asymptotic expression of the transitionprobability. Results obtained for high density monoatomic fluids are verysatisfactory and provide an accurate extraction of the potential, despite amodest computational effort.

Information-theory-based solution of the inverse problem in classical statistical mechanics