Hans H. Diebner and Otto E. Rossler:

Deterministic Continuous Molecular-Dynamics-Simulation of a Chemical Oscillator

Z. Naturforsch. 50a,1139-1140 (1995). (pdf)

Abstract:

A macroscopic chemical oscillator involving 3 autocatalytic second-order reactions is simulated microscopically. A deterministic Newtonian simulation involving 1024 particles with a smooth 1/r potential in two dimensions is presented.