Related papers: Comparison of the microcanonical population anneal…
We propose the use of microcanonical analyses for numerical studies of peptide aggregation transitions. Performing multicanonical Monte Carlo simulations of a simple hydrophobic-polar continuum model for interacting heteropolymers of finite…
A simple solid-on-solid model of adsorbate-induced faceting is studied by using a modified Wang-Landau method. The phase diagram for this system is constructed by computing the density of states in a special two-dimensional energy space. A…
We propose a hybrid sampling method, tensor-network population annealing (TNPA), which combines tensor-network (TN) initialization with population annealing (PA). We apply this method to the two-dimensional Edwards-Anderson Ising spin…
Population Annealing, one of the currently state-of-the-art algorithms for solving spin-glass systems, sometimes finds hard disorder instances for which its equilibration quality at each temperature step is severely damaged. In such cases…
The multiple range random walk algorithm recently proposed by Wang and Landau [Phys. Rev. Lett. 86, 2050 (2001)] is adapted to the computation of free energy profiles for molecular systems along reaction coordinates. More generally, we show…
The investigation of phase coexistence in systems with multi-component order parameters in finite systems is discussed, and as a generic example, Monte Carlo simulations of the two-dimensional q-state Potts model (q=30) on LxL square…
We investigate the critical behavior of the one-dimensional q-state Potts model with long-range (LR) interaction $1/r^{d+\sigma}$, using a multicanonical algorithm. The recursion scheme initially proposed by Berg is improved so as to make…
We investigate the first-order phase transitions of the $q$-state Potts models with $q = 5, 6, 7$, and $8$ on the two-dimensional square lattice, using Monte Carlo simulations. At the very weakly first-order transition of the $q=5$ system,…
This note introduces a method for sampling Ising models with mixed boundary conditions. As an application of annealed importance sampling and the Swendsen-Wang algorithm, the method adopts a sequence of intermediate distributions that keeps…
We test the effectiveness of the multicanonical algorithm for the tertiary structure prediction of peptides and proteins. As a simple example we study Met-enkephalin. The lowest-energy conformation obtained agrees with that determined by…
We present a rigorous derivation for off-lattice implementations of the so-called "random-walk" algorithm recently introduced by Wang and Landau [PRL 86, 2050 (2001)]. Originally developed for discrete systems, the algorithm samples…
The Cellular Potts Model (CPM) is a lattice based modeling technique which is widely used for simulating cellular patterns such as foams or biological tissues. Despite its realism and generality, the standard Monte Carlo algorithm used in…
Wang-Landau simulations offer the possibility to integrate explicitly over a collective coordinate and stochastically over the remainder of configuration space. We propose to choose the so-called "slow mode", which is responsible for large…
We study a generalization of Swendsen-Wang algorithm suited for Potts models with next-next-neighborhood interactions. Using the embedding technique proposed by Wolff we test it on the Symanzik improved bidimensional non-linear $\sigma$…
The three-dimensional bimodal random-field Ising model is studied via a new finite temperature numerical approach. The methods of Wang-Landau sampling and broad histogram are implemented in a unified algorithm by using the N-fold version of…
We propose a new effective cluster algorithm of tuning the critical point automatically, which is an extended version of Swendsen-Wang algorithm. We change the probability of connecting spins of the same type, $p = 1 - e^{- J/ k_BT}$, in…
We investigate the tricritical scaling behavior of the two-dimensional spin-$1$ Blume-Capel model using the Wang-Landau method measuring the joint density of states for lattice sizes up to $48\times 48$ sites. The first-order transition…
As far as we know, there is no flat-histogram algorithm to sample the stationary distribution of non-equilibrium stochastic processes. The present work addresses this gap by introducing a generalization of the Wang-Landau algorithm, applied…
We analyze and compare the computational complexity of different simulation strategies for Monte Carlo in the setting of classically scaled population processes. This allows a range of widely used competing strategies to be judged…
We present the parallel and interacting stochastic approximation annealing (PISAA) algorithm, a stochastic simulation procedure for global optimisation, that extends and improves the stochastic approximation annealing (SAA) by using…