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Название: Molecular Dynamical Simulation of the Canonical Ensemble
Автор: Bonomi E.
Аннотация:
We apply a technique to simulate the canonical ensemble, mixing molecular dynamics and Monte Carlo techniques, in which particles suffer virtual hard shocks. In the limit of infinite time the system approaches a Boltzmann distribution. A good approximation to the Boltzmann distribution is achieved in computationally accessible time for some model systems including the one-dimensional jellium.