Rejection-free cluster Wang-Landau algorithm for hard-core lattice gases
Related Experiment Video
Updated: Oct 13, 2025

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Asweel Ahmed A Jaleel1,2, Jetin E Thomas1,2, Dipanjan Mandal3
1The Institute of Mathematical Sciences, C.I.T. Campus, Taramani, Chennai 600113, India.
Abstract:
We introduce a rejection-free, flat histogram, cluster algorithm to determine the density of states of hard-core lattice gases. We show that the algorithm is able to efficiently sample low entropy states that are usually difficult to access, even when the excluded volume per particle is large. The algorithm is based on simultaneously evaporating all the particles in a strip and reoccupying these sites with a new appropriately chosen configuration. We implement the algorithm for the particular case of the hard-core lattice gas in which the first k next-nearest neighbors of a particle are excluded from being occupied. It is shown that the algorithm is able to reproduce the known results for k=1,2,3 both on the square and cubic lattices. We also show that, in comparison, the corresponding flat histogram algorithms with either local moves or unbiased cluster moves are less accurate and do not converge as the system size increases.
Related Concept Videos
Bewley Lattice Diagram
Trends in Lattice Energy: Ion Size and Charge
Lattice Centering and Coordination Number
Types of Unit Cells
Imagine taking a large number of identical...
Van der Waals Equation
First, the attractive forces between molecules, which are stronger at higher densities and reduce the pressure, are considered by adding to the pressure a term equal to the square of the molar density multiplied by a positive coefficient a. Second, the volume...
Network Covalent Solids
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
Molecular Comparison of Gases, Liquids, and Solids

