Maximally discretized molecular dynamics

It is shown that the coarsest discretization of positions and velocities in molecular dynamics results in qualitatively correct transport coefficients and quantitatively predictable long-time tails in the velocity autocorrelation function. However, it requires orders of magnitude less computer time than standard molecular-dynamics methods. The viscosity and diffusion coefficients for the maximally discretized molecular dynamics model are analyzed as functions of the fractional occupancy. (K.K.)