Over the last decade flat-histogram Monte Carlo simulations, especially multi-canonical and
Wang–Landau simulations, have emerged as a strong tool to study the statistical mechanics …

Quantum advantage in solving physical problems is still hard to assess due to hardware
limitations. However, algorithms designed for quantum computers may engender …

We investigate a generic, parallel replica-exchange framework for Monte Carlo simulations
based on the Wang-Landau method. To demonstrate its advantages and general …

The thermodynamic behavior and structural properties of hydrophobic-polar (HP) lattice
proteins interacting with attractive surfaces are studied by means of Wang-Landau sampling …

We use a micro-canonical Wang–Landau technique to study the equilibrium properties of a
single flexible homopolymer where consecutive monomers are represented by impenetrable …

In the multi-objective approach to constraint-handling, a constrained problem is transformed
into an unconstrained one by defining additional optimization criteria to account for the …

Multi-objectivization represents a current and promising research direction which has led to
the development of more competitive search mechanisms. This concept involves the …

Abstract The Wang-Landau (WL) algorithm is a Monte Carlo simulation technique providing
a direct computation of the density of states of a many-body system. The temperature …

We present a novel method for the study of weak polyelectrolytes and general acid–base
reactions in molecular dynamics and Monte Carlo simulations. The approach combines the …

Abstract We discuss Stochastic Approximation Monte Carlo (SAMC) simulations, and Wang–
Landau Monte Carlo (WLMC) simulations as one form of SAMC simulations, in an …