The 1/t Wang-Landau algorithm is tested on simple models of polymers and proteins. It is found that this method resolves the problem of the saturation of the error present in the original algorithmâ€¦ (More)

Physical review. E, Statistical, nonlinear, andâ€¦

2012

The phase diagram for a lattice ring polymer under applied force, with variable solvent quality, for different topological knot states, is determined for the first time. In addition to eliminatingâ€¦ (More)

We demonstrate how Wang-Landau simulations may be used in an efficient manner to investigate the statistical mechanics of lattice polymers adsorbed at a planar surface, and confined in slit geometryâ€¦ (More)

We propose several improvements to the Monte Carlo simulation techniques for lattice peptide adsorption on surfaces. Firstly, we examine the implementation of "pull" moves and discuss the mostâ€¦ (More)

Physical review. E, Statistical, nonlinear, andâ€¦

2012

To study the adsorption of individual peptides in implicit solvent, we propose a version of the Wang-Landau Monte Carlo algorithm that uses a single surface, with no need for a confining wall orâ€¦ (More)

We discuss how to use Wang-Landau simulations in an efficient manner to investigate the statistical mechanics of individual lattice polymers and peptides adsorbed at a planar surface. For nearestâ€¦ (More)

Systems with a rough energy landscape present a problem for computational physics. To determine the properties of a system at a given temperature it is necessary to sample from the states which areâ€¦ (More)