Simulation of polymers by the Monte Carlo method using the Wang-Landau algorithm

Vorontsov-Vèlyaminov, P. N.; Волков, Н. А.; Yurchenko, A. A.; Lyubartsev, Alexander P.

doi:10.1134/s0965545x10070096

Cited by 10 publications

(5 citation statements)

References 12 publications

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“…The gyration radius is not directly related to the moments of the energy as mentioned in the previous Section. However, this quantity may be computed by noticing [24] that the mean square radius of gyration R 2 G (β) can be written as follows:…”

Section: Thermal Properties Of Polymer Knotsmentioning

confidence: 99%

A Numerical Technique for Preserving the Topology of Polymer Knots: The Case of Short-range Attractive Interactions

Zhao¹,

Ferrari²

2013

Acta Phys. Pol. B

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The statistical mechanics of single polymer knots is studied using Monte Carlo simulations. The polymers are considered on a cubic lattice and their conformations are randomly changed with the help of pivot transformations. After each transformation, it is checked if the topology of the knot is preserved by means of a method called pivot algorithm and excluded area (in short PAEA) and described in a previous publication of the authors. As an application of this method the specific energy, the radius of gyration and heat capacity of a few types of knots are computed. The case of attractive short-range forces is investigated. The sampling of the energy states is performed by means of the Wang-Landau algorithm. The obtained results show that the specific energy and heat capacity increase with increasing knot complexity.

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Section: Thermal Properties Of Polymer Knotsmentioning

confidence: 99%

A Numerical Technique for Preserving the Topology of Polymer Knots: The Case of Short-range Attractive Interactions

Zhao¹,

Ferrari²

2013

Acta Phys. Pol. B

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“…These difficulties have been overcome by the development of alternative MC methods, such as paralleltempering [16], cluster algorithms [17], multicanonical algorithms [18], and more recently the Wang-Landau method [19]. This method has been applied with great success to many systems, in particular to polymers in lattice [20][21][22].…”

Section: Introductionmentioning

confidence: 99%

Entropy of dimers chains placed on a one-dimensional lattice with q-states

Nascimento¹,

Neto²,

Salmon³

et al. 2015

Physica A: Statistical Mechanics and its Applications

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“…These difficulties have been overcomed by the development of alternative Monte Carlo methods, such as parallel-tempering [7], cluster algorithms [8], multicanonical algorithms [9], and more recently the Wang-Landau method [10]. This method has been applied with great success to many systems, in particular to polymers in lattice [11][12][13].…”

Section: Introductionmentioning

confidence: 99%

The rubber band revisited: Wang–Landau simulation

Ferreira¹,

Caparica²,

Neto³

et al. 2012

J. Stat. Mech.

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In this work we apply Wang-Landau simulations to a simple model which has exact solutions both in the microcanonical and canonical formalisms. The simulations were carried out by using an updated version of the Wang-Landau sampling. We consider a homopolymer chain consisting of N monomers units which may assume any configuration on the two-dimensional lattice. By imposing constraints to the moves of the polymers we obtain three different models. Our results show that updating the density of states only after every N monomers moves leads to a better precision. We obtain the specific heat and the end-to-end distance per monomer and test the precision of our simulations comparing the location of the maximum of the specific heat with the exact results for the three types of walks.

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Simulation of polymers by the Monte Carlo method using the Wang-Landau algorithm

Cited by 10 publications

References 12 publications

A Numerical Technique for Preserving the Topology of Polymer Knots: The Case of Short-range Attractive Interactions

A Numerical Technique for Preserving the Topology of Polymer Knots: The Case of Short-range Attractive Interactions

Entropy of dimers chains placed on a one-dimensional lattice with q-states

The rubber band revisited: Wang–Landau simulation

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