Classical many particle simulator timing results

Classical molecular dynamics (MD) simulations rely on model potentials describing the interactions between the particles in the system, rather than a first-principles calculation of the system energy at each time step. Obviously, the quality of the outcome depends on the quality of the model potential. Model potentials are normally either fit to experimental results, or based on first-principles calculation. Since the majority of the model potentials is based on two-body interactions only, such potentials generally ignore the multibody character of real interactions. The time evolution of the system is computed by solving numerically Newton s laws of motion. Molecular dynamics or molecular simulation is a vast field with many fields of applications. For detailed discussions, see Refs. [9, 10]. 

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