Efficient Monte Carlo simulation of a glass forming binary mixture
  We propose and use a novel, hybrid Monte Carlo algorithm that combines configurational bias particle swaps with parallel tempering. We use this new method to simulate a standard model of a glass forming binary mixture above and below the so-called mode-coupling temperature, Tmct. We find that an ansatz that was used previously to extrapolate thermodynamic quantities to temperatures below Tmct breaks down in the vicinity of the mode-coupling temperature. Thus, previous estimates of the so-called Kauzmann temperature need to be reexamined. Also, we find that the Adam-Gibbs relations D ~ exp(-a/TSc) and tau ~ exp(b/TSc), which connect the diffusion coefficient D and the relaxation time tau with the configurational entropy Sc, are valid for all temperatures for which the configurational and vibrational contributions to the free energy decouple. 
Elijah Flenner and Grzegorz Szamel