One of the central problems in statistical mechanics is that of finding the density of states of a
system. Knowledge of the density of states of a system is equivalent to knowledge of its …

An algorithm to calculate the density of states, based on the well-known Wang-Landau
method, is introduced. Independent random walks are performed in different restricted …

In this work we present a theoretical analysis of the convergence of the Wang-Landau
algorithm [Phys. Rev. Lett. 86, 2050 (2001)] which was introduced years ago to calculate the …

The relative performances of different implementations of the Wang-Landau method are
assessed on two classes of systems with continuous degrees of freedom, namely, two …

In this Brief Report, the convergence of the 1∕ t and Wang-Landau algorithms in the
calculation of multidimensional numerical integrals is analyzed. Both simulation methods …

We propose a strategy to achieve the fastest convergence in the Wang-Landau algorithm
with varying modification factors. With this strategy, the convergence of a simulation is at …

Despite the high density within a typical protein fold, the ensemble of sterically permissible
side-chain repackings is vast. Here, we examine the extent of this variability that survives …

We present a computer simulation study of the aggregation and ordering of short alkane
chains using a united atom model description. Our simulation approach allows us to …

Global optimization methods that are alternative to evolutionary approaches are reviewed.
Improvements over the well-known simulated annealing algorithm are discussed. Several …

Recently the authors proposed a novel sampling algorithm,“statistical temperature molecular
dynamics”(STMD)[J. Kim et al, Phys. Rev. Lett. 97, 050601 (2006)], which combines …