ABSTRACT Simulation of molecular fluids has been done usually by Monte Carlo and Continuous Molecular Dynamics. In this work, a review of a new method to do that is presented using the idea of discontinuous potentials. In this method, the discontinuous potential interaction has an arbitrary number of discontinuities and the motion equations are solved exactly using an algebraic procedure. Results of configurational and dynamical properties obtained with this method are presented and compared with results for similar systems simulated through traditional methods. The results indicate that discontinuous molecular dynamics is a real alternative method to simulate complex molecules formed by fused spheres.
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