Twenty years ago Poole et al. suggested that the anomalous properties of supercooled water may be caused by a critical point that terminates a line of liquid-liquid separation of lower-density and higher-density water. Here we present a thermodynamic model based on this hypothesis, which describes all available experimental data for supercooled water with better quality and fewer adjustable par...

We present Monte Carlo simulation results on the equilibrium relaxation dynamics in the two-dimensional lattice Coulomb gas, where finite fractions f of the lattice sites are occupied by positive charges. In the case of high-order rational values of f close to the irrational number 1-g [g identical with (square root of 5-1)/2 is the golden mean], we find that the system exhibits, for a wide ran...

Melting is analyzed dynamically as a problem of localization at a liquid-solid interface. A Lindemann-like criterion of melting is derived in terms of particular vibrational amplitudes, which turn out to equal a universal quotient (about one-tenth) of the molecular spacing, at the interface. The near universality of the Lindemann ratio apparently arises owing to strongly overdamped dynamics nea...

A generic history-penalized metabasin escape algorithm that contains no predetermined parameters is presented in this work. The spatial location and volume of imposed penalty functions in the configurational space are determined in self-learning processes as the 3N-dimensional potential energy surface is sampled. The computational efficiency is demonstrated using a binary Lennard-Jones liquid s...