The results from kinetic Monte Carlo simulations of diffusion in a model glass former were presented. Results showed that the diffusion constants obtained from kinetic Monte Carlo simulations had Arrhenius temperature dependence. It was suggested that the relevant connectivity of minima on the potential energy surface was proportional to the energy density of the local minima and determines the 'inherent structure entropy'. It was found that the entropic contribution to the temperature dependence of transport processes was due to decreasing connectivity between mega-basins at low potential energy.

Comparison of Kinetic Monte Carlo and Molecular Dynamics Simulations of Diffusion in a Model Glass Former. Middleton, T.F., Wales, D.J.: Journal of Chemical Physics, 2004, 120[17], 8134-43