We introduce a parallel Wang-Landau method based on the replica-exchange framework for Monte Carlo simulations. To demonstrate its advantages and general applicability for simulations of complex systems, we apply it to different spin models including spin glasses, the Ising model, and the Potts model, lattice protein adsorption, and the self-assembly process in amphiphilic solutions. Without loss of accuracy, the method gives significant speed-up and potentially scales up to petaflop machines.
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http://dx.doi.org/10.1103/PhysRevLett.110.210603 | DOI Listing |
Phys Rev E
April 2024
Landau Institute for Theoretical Physics, 142432 Chernogolovka, Russia and HSE University, 101000 Moscow, Russia.
We present a modification of the Rose-Machta algorithm [N. Rose and J. Machta, Phys.
View Article and Find Full Text PDFPhys Rev E
May 2022
Institut für Physik, Technische Universität Chemnitz, D-09107 Chemnitz, Germany.
We study the question of universality in the two-dimensional spin-1 Baxter-Wu model in the presence of a crystal field Δ. We employ extensive numerical simulations of two types, providing us with complementary results: Wang-Landau sampling at fixed values of Δ and a parallelized variant of the multicanonical approach performed at constant temperature T. A detailed finite-size scaling analysis in the regime of second-order phase transitions in the (Δ,T) phase diagram indicates that the transition belongs to the universality class of the four-state Potts model.
View Article and Find Full Text PDFPhys Rev E
May 2021
Department of Mathematics and Statistics, York University, Toronto, Ontario M3J 1P3, Canada.
We implement parallel versions of the generalized atmospheric Rosenbluth methods and Wang-Landau algorithms for stars and for acyclic uniform branched networks in the square lattice. These are models of monodispersed branched polymers, and we estimate the star vertex exponents σ_{f} for f stars, and the entropic exponent γ_{G} for networks with comb and brush connectivity in two dimensions. Our results verify the predicted (but not rigorously proven) exact values of the vertex exponents and we test the scaling relation [B.
View Article and Find Full Text PDFPhys Rev E
December 2020
Centre for Fluid and Complex Systems, Coventry University, Coventry CV1 5FB, United Kingdom.
Using high-precision Monte Carlo simulations based on a parallel version of the Wang-Landau algorithm and finite-size scaling techniques, we study the effect of quenched disorder in the crystal-field coupling of the Blume-Capel model on a square lattice. We mainly focus on the part of the phase diagram where the pure model undergoes a continuous transition, known to fall into the universality class of a pure Ising ferromagnet. A dedicated scaling analysis reveals concrete evidence in favor of the strong universality hypothesis with the presence of additional logarithmic corrections in the scaling of the specific heat.
View Article and Find Full Text PDFJ Chem Phys
October 2018
Center for Simulational Physics, The University of Georgia, Athens, Georgia 30602-0002, USA.
We studied the folding behavior of two coarse-grained, lattice models, the HP (hydrophobic-polar) model and the semi-flexible H0P model, whose 124 monomer long sequences were derived from the protein Ribonuclease A. Taking advantage of advanced parallel computing techniques, we applied replica exchange Wang-Landau sampling and calculated the density of states over the models entire energy ranges to high accuracy. We then determined both energetic and structural quantities in order to elucidate the folding behavior of each model completely.
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