Cluster algorithms - Revision history

Carl McBride: /* Geometric cluster algorithms */ Added a recent publication

2010-11-17T10:43:32Z

Geometric cluster algorithms: Added a recent publication

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	== Geometric cluster algorithms ==		== Geometric cluster algorithms ==
	~~These~~ methods have been proposed for the efficient simulation of continuum fluids~~, and have been applied to the~~		Geometric methods have been proposed for the efficient simulation of continuum fluids <ref>[http://dx.doi.org/10.1103/PhysRevLett.92.035504 Jiwen Liu and Erik Luijten, "Rejection-Free Geometric Cluster Algorithm for Complex Fluids", Physical Review Letters '''92''' 035504 (2004)]</ref> <ref> [http://dx.doi.org/10.1103/PhysRevE.71.066701 Jiwen Liu and Erik Luijten, "Generalized geometric cluster algorithm for fluid simulation", Physical Review E '''71''' 066701 (2005)]</ref>,
	~~simulation of [[mixtures]].~~<ref>[http://dx.doi.org/10.1103/PhysRevLett.92.035504 Jiwen Liu and Erik Luijten, "Rejection-Free Geometric Cluster Algorithm for Complex Fluids", Physical Review Letters '''92''' 035504 (2004)]</ref> <ref> [http://dx.doi.org/10.1103/PhysRevE.71.066701 Jiwen Liu and Erik Luijten, "Generalized geometric cluster algorithm for fluid simulation", Physical Review E '''71''' 066701 (2005)]</ref>		and have also been applied to simulations of [[mixtures]], <ref> [http://dx.doi.org/10.1063/1.1831274 Arnaud Buhot, "Cluster algorithm for nonadditive hard-core mixtures", Journal of Chemical Physics '''122''' 024105 (2005)] </ref>
	<ref> [http://dx.doi.org/10.1063/1.1831274 Arnaud Buhot, "Cluster algorithm for nonadditive hard-core mixtures", Journal of Chemical Physics '''122''' 024105 (2005)] </ref>		such as [[colloids]] <ref>[http://dx.doi.org/10.1063/1.3495996 Douglas J. Ashton, Jiwen Liu, Erik Luijten, and Nigel B. Wilding "Monte Carlo cluster algorithm for fluid phase transitions in highly size-asymmetrical binary mixtures", Journal of Chemical Physics '''133''' 194102 (2010)]</ref>.

	== Other applications of cluster algorithms ==		== Other applications of cluster algorithms ==

Nice and Tidy: /* Invaded Cluster Algorithm */

2010-02-11T14:05:17Z

Invaded Cluster Algorithm

← Older revision		Revision as of 16:05, 11 February 2010
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	the probability of bonding neighbouring sites with equal spins is not set ''a priori'' (See		the probability of bonding neighbouring sites with equal spins is not set ''a priori'' (See
	<ref>[http://dx.doi.org/10.1103/PhysRevLett.75.2792 J. Machta, Y. S. Choi, A. Lucke, T. Schweizer, and L. V. Chayes, "Invaded Cluster Algorithm for Equilibrium Critical Points", Physical Review Letters '''75''' pp. 2792-2795 (1995)]</ref>).		<ref>[http://dx.doi.org/10.1103/PhysRevLett.75.2792 J. Machta, Y. S. Choi, A. Lucke, T. Schweizer, and L. V. Chayes, "Invaded Cluster Algorithm for Equilibrium Critical Points", Physical Review Letters '''75''' pp. 2792-2795 (1995)]</ref>).
	The algorithm for an Ising system with [[~~boundary conditions \|~~periodic boundary conditions]] can be implemented as follows:		The algorithm for an Ising system with [[periodic boundary conditions]] can be implemented as follows:

	Given a certain configuration of the system:		Given a certain configuration of the system:

Noe: misspelling correction

2009-09-07T12:45:10Z

misspelling correction

← Older revision		Revision as of 14:45, 7 September 2009
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	'''Cluster algorithms''' are mainly used in the simulation of [[Ising Models\|Ising-like models]] using [[Monte Carlo\|Monte Carlo]] methods. The essential feature is the use of collective motions of particles (spins) in a single [[Monte Carlo]] step.		'''Cluster algorithms''' are mainly used in the simulation of [[Ising Models\|Ising-like models]] using [[Monte Carlo\|Monte Carlo]] methods. The essential feature is the use of collective motions of particles (spins) in a single [[Monte Carlo]] step.
	An interesting property of some of these ~~application~~ is the fact that the [[percolation analysis]] of the clusters can		An interesting property of some of these applications is the fact that the [[percolation analysis]] of the clusters can
	be used to study [[phase transitions]].		be used to study [[phase transitions]].
	== Swendsen-Wang algorithm ==		== Swendsen-Wang algorithm ==

Nice and Tidy: /* Geometric cluster algorithms */ Added an internal link to mixtures.

2009-09-03T15:37:21Z

Geometric cluster algorithms: Added an internal link to mixtures.

← Older revision		Revision as of 17:37, 3 September 2009
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	== Geometric cluster algorithms ==		== Geometric cluster algorithms ==
	These methods have been proposed for the efficient simulation of continuum fluids, and have been applied to the		These methods have been proposed for the efficient simulation of continuum fluids, and have been applied to the
	simulation of mixtures.<ref>[http://dx.doi.org/10.1103/PhysRevLett.92.035504 Jiwen Liu and Erik Luijten, "Rejection-Free Geometric Cluster Algorithm for Complex Fluids", Physical Review Letters '''92''' 035504 (2004)]</ref> <ref> [http://dx.doi.org/10.1103/PhysRevE.71.066701 Jiwen Liu and Erik Luijten, "Generalized geometric cluster algorithm for fluid simulation", Physical Review E '''71''' 066701 (2005)]</ref>		simulation of [[mixtures]].<ref>[http://dx.doi.org/10.1103/PhysRevLett.92.035504 Jiwen Liu and Erik Luijten, "Rejection-Free Geometric Cluster Algorithm for Complex Fluids", Physical Review Letters '''92''' 035504 (2004)]</ref> <ref> [http://dx.doi.org/10.1103/PhysRevE.71.066701 Jiwen Liu and Erik Luijten, "Generalized geometric cluster algorithm for fluid simulation", Physical Review E '''71''' 066701 (2005)]</ref>
	<ref> [http://dx.doi.org/10.1063/1.1831274 Arnaud Buhot, "Cluster algorithm for nonadditive hard-core mixtures", Journal of Chemical Physics '''122''' 024105 (2005)] </ref>		<ref> [http://dx.doi.org/10.1063/1.1831274 Arnaud Buhot, "Cluster algorithm for nonadditive hard-core mixtures", Journal of Chemical Physics '''122''' 024105 (2005)] </ref>

Nice and Tidy: /* Other applications of cluster algorithms */ Completed journal names + trivial tidy.

2009-09-03T15:35:44Z

Other applications of cluster algorithms: Completed journal names + trivial tidy.

← Older revision		Revision as of 17:35, 3 September 2009
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	== Other applications of cluster algorithms ==		== Other applications of cluster algorithms ==
	The cluster algorithms described so far are rejection-free methods, ~~this~~ means that every		The cluster algorithms described so far are rejection-free methods, which means that every
	new configuration generated in the sampling is accepted.		new configuration generated throughout the sampling is accepted.
			However, when the complexity of models increases, it becomes difficult to develop efficient
	~~When~~ the complexity of models increases, it becomes difficult to develop efficient
	rejection-free algorithms. Nevertheless, in some cases it is still sometimes possible to build up quite efficient cluster algorithms.		rejection-free algorithms. Nevertheless, in some cases it is still sometimes possible to build up quite efficient cluster algorithms.

	Examples:		Examples:

	*Collective translations in the simulation of [[Micelles\|micelles]] <ref>[http://dx.doi.org/10.1021/j100189a030 David Wu, David Chandler and Berend Smit, "Electrostatic analogy for surfactant assemblies", ~~J. Phys. Chem.,~~ '''96''' pp ~~4077–4083~~ (1992)]</ref>		*Collective translations in the simulation of [[Micelles\|micelles]] <ref>[http://dx.doi.org/10.1021/j100189a030 David Wu, David Chandler and Berend Smit, "Electrostatic analogy for surfactant assemblies", Journal of Physical Chemistry '''96''' pp. 4077-4083 (1992)]</ref>

	*Collective (cluster) translation/rotations in the simulation of the [[restricted primitive model\|primitive model]] of electrolytes.<ref>		*Collective (cluster) translation/rotations in the simulation of the [[restricted primitive model\|primitive model]] of electrolytes.<ref>
	[http://dx.doi.org/10.1063/1.467770 Gerassimos Orkoulas and Athanassios Z. Panagiotopoulos, "Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations", ~~J. Chem. Phys.~~ '''101''', 1452 (1994) ]</ref>		[http://dx.doi.org/10.1063/1.467770 Gerassimos Orkoulas and Athanassios Z. Panagiotopoulos, "Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations", Journal of Chemical Physics '''101''' pp. 1452- (1994)]</ref>

	*[[Monte Carlo\|Monte Carlo]] simulation of atomistic systems with multiparticle moves.<ref>[http://dx.doi.org/10.1063/1.2759924 N. G. Almarza and E. Lomba "Cluster algorithm to perform parallel Monte Carlo simulation of atomistic systems", Journal of Chemical Physics '''127''' 084116 (2007)]</ref>.		*[[Monte Carlo\|Monte Carlo]] simulation of atomistic systems with multiparticle moves.<ref>[http://dx.doi.org/10.1063/1.2759924 N. G. Almarza and E. Lomba "Cluster algorithm to perform parallel Monte Carlo simulation of atomistic systems", Journal of Chemical Physics '''127''' 084116 (2007)]</ref>.

	*[[Monte Carlo\|Monte Carlo]] ~~Simulation~~ of hard core models in the [[isothermal-isobaric ensemble\|isothermal isobaric ensemble]].<ref>[http://dx.doi.org/10.1063/1.3133328 N. G. Almarza, "A cluster algorithm for Monte Carlo simulation at constant pressure", ~~J. Chem. Phys.~~ '''130''', 184106 (2009) ]</ref>		*[[Monte Carlo\|Monte Carlo]] simulation of [[Idealised models#'Hard' models \| hard core models]] in the [[isothermal-isobaric ensemble\|isothermal isobaric ensemble]].<ref>[http://dx.doi.org/10.1063/1.3133328 N. G. Almarza, "A cluster algorithm for Monte Carlo simulation at constant pressure", Journal of Chemical Physics '''130''', 184106 (2009) ]</ref>

	== References ==		== References ==

Noe: /* Other applications of cluster algorithms */

2009-09-03T15:01:26Z

Other applications of cluster algorithms

← Older revision		Revision as of 17:01, 3 September 2009
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	Examples:		Examples:

	*Collective translations in the simulation of micelles <ref>[http://dx.doi.org/10.1021/j100189a030 David Wu, David Chandler and Berend Smit, "Electrostatic analogy for surfactant assemblies", J. Phys. Chem., '''96''' pp 4077–4083 (1992)]</ref>		*Collective translations in the simulation of [[Micelles\|micelles]] <ref>[http://dx.doi.org/10.1021/j100189a030 David Wu, David Chandler and Berend Smit, "Electrostatic analogy for surfactant assemblies", J. Phys. Chem., '''96''' pp 4077–4083 (1992)]</ref>

	*Collective (cluster) translation/rotations in the simulation of the [[restricted primitive model\|primitive model]] of electrolytes.<ref>		*Collective (cluster) translation/rotations in the simulation of the [[restricted primitive model\|primitive model]] of electrolytes.<ref>

Noe at 14:59, 3 September 2009

2009-09-03T14:59:42Z

← Older revision		Revision as of 16:59, 3 September 2009
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	'''Cluster algorithms''' are mainly used in the simulation of [[Ising Models\|Ising-like models]]. The essential feature is the use of collective motions of particles (spins) in a single [[Monte Carlo]] step.		'''Cluster algorithms''' are mainly used in the simulation of [[Ising Models\|Ising-like models]] using [[Monte Carlo\|Monte Carlo]] methods. The essential feature is the use of collective motions of particles (spins) in a single [[Monte Carlo]] step.
	An interesting property of some of these application is the fact that the [[percolation analysis]] of the clusters can		An interesting property of some of these application is the fact that the [[percolation analysis]] of the clusters can
	be used to study [[phase transitions]].		be used to study [[phase transitions]].

Noe: /* Other applications of cluster algorithms */

2009-09-03T14:56:40Z

Other applications of cluster algorithms

← Older revision		Revision as of 16:56, 3 September 2009
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	Examples:		Examples:

	*Collective translations in the simulation of micelles <ref>[http://dx.doi.org/10.1021/j100189a030 David Wu, David Chandler and Berend Smit,		*Collective translations in the simulation of micelles <ref>[http://dx.doi.org/10.1021/j100189a030 David Wu, David Chandler and Berend Smit, "Electrostatic analogy for surfactant assemblies", J. Phys. Chem., '''96''' pp 4077–4083 (1992)]</ref>
	"Electrostatic analogy for surfactant assemblies", J. Phys. Chem., '''96''' pp 4077–4083 (1992)]</ref>

	*Collective (cluster) translation/rotations in the simulation of the [[restricted primitive model\|primitive model]] of electrolytes.<ref>		*Collective (cluster) translation/rotations in the simulation of the [[restricted primitive model\|primitive model]] of electrolytes.<ref>

Noe: /* Other applications of cluster algorithms */

2009-09-03T14:55:35Z

Other applications of cluster algorithms

← Older revision		Revision as of 16:55, 3 September 2009
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	*Collective translations in the simulation of micelles <ref>[http://dx.doi.org/10.1021/j100189a030 David Wu, David Chandler and Berend Smit,		*Collective translations in the simulation of micelles <ref>[http://dx.doi.org/10.1021/j100189a030 David Wu, David Chandler and Berend Smit,
	~~Examples:~~Electrostatic analogy for surfactant assemblies, J. Phys. Chem., 96 pp 4077–4083 (1992)]</ref>		"Electrostatic analogy for surfactant assemblies", J. Phys. Chem., '''96''' pp 4077–4083 (1992)]</ref>

	*Collective (cluster) translation/rotations in the simulation of the [[restricted primitive model\|primitive model]] of electrolytes.<ref>		*Collective (cluster) translation/rotations in the simulation of the [[restricted primitive model\|primitive model]] of electrolytes.<ref>
	[http://dx.doi.org/10.1063/1.467770 Gerassimos Orkoulas and Athanassios Z. Panagiotopoulos, Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations, J. Chem. Phys. 101, 1452 (1994) ]</ref>		[http://dx.doi.org/10.1063/1.467770 Gerassimos Orkoulas and Athanassios Z. Panagiotopoulos, "Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations", J. Chem. Phys. '''101''', 1452 (1994) ]</ref>

	*Monte Carlo simulation of atomistic systems with multiparticle moves.<ref>[http://dx.doi.org/10.1063/1.2759924 N. G. Almarza and E. Lomba "Cluster algorithm to perform parallel Monte Carlo simulation of atomistic systems", Journal of Chemical Physics '''127''' 084116 (2007)]</ref>.		*[[Monte Carlo\|Monte Carlo]] simulation of atomistic systems with multiparticle moves.<ref>[http://dx.doi.org/10.1063/1.2759924 N. G. Almarza and E. Lomba "Cluster algorithm to perform parallel Monte Carlo simulation of atomistic systems", Journal of Chemical Physics '''127''' 084116 (2007)]</ref>.

	*Monte Carlo Simulation of hard core models in the [[isothermal-isobaric ensemble\|isothermal isobaric ensemble]].<ref>[http://dx.doi.org/10.1063/1.3133328 N. G. Almarza, A cluster algorithm for Monte Carlo simulation at constant pressure, J. Chem. Phys. 130, 184106 (2009) ]</ref>		*[[Monte Carlo\|Monte Carlo]] Simulation of hard core models in the [[isothermal-isobaric ensemble\|isothermal isobaric ensemble]].<ref>[http://dx.doi.org/10.1063/1.3133328 N. G. Almarza, "A cluster algorithm for Monte Carlo simulation at constant pressure", J. Chem. Phys. '''130''', 184106 (2009) ]</ref>

	== References ==		== References ==

Noe: /* Other applications of cluster algorithms */

2009-09-03T14:52:33Z

Other applications of cluster algorithms

← Older revision		Revision as of 16:52, 3 September 2009
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	Examples:		Examples:

	*Collective translations in the simulation micelles <ref>[http://dx.doi.org/10.1021/j100189a030 David Wu, David Chandler, Berend Smit		*Collective translations in the simulation of micelles <ref>[http://dx.doi.org/10.1021/j100189a030 David Wu, David Chandler and Berend Smit,
			Examples:Electrostatic analogy for surfactant assemblies, J. Phys. Chem., 96 pp 4077–4083 (1992)]</ref>

			*Collective (cluster) translation/rotations in the simulation of the [[restricted primitive model\|primitive model]] of electrolytes.<ref>
			[http://dx.doi.org/10.1063/1.467770 Gerassimos Orkoulas and Athanassios Z. Panagiotopoulos, Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations, J. Chem. Phys. 101, 1452 (1994) ]</ref>

	*Monte Carlo simulation of atomistic systems with multiparticle moves.<ref>[http://dx.doi.org/10.1063/1.2759924 N. G. Almarza and E. Lomba "Cluster algorithm to perform parallel Monte Carlo simulation of atomistic systems", Journal of Chemical Physics '''127''' 084116 (2007)]</ref>.		*Monte Carlo simulation of atomistic systems with multiparticle moves.<ref>[http://dx.doi.org/10.1063/1.2759924 N. G. Almarza and E. Lomba "Cluster algorithm to perform parallel Monte Carlo simulation of atomistic systems", Journal of Chemical Physics '''127''' 084116 (2007)]</ref>.
	*Monte Carlo Simulation in the [[isothermal-isobaric ensemble\|isothermal isobaric ensemble]] ~~of hard core models~~.<ref>[http://dx.doi.org/10.1063/1.3133328 N. G. Almarza, A cluster algorithm for Monte Carlo simulation at constant pressure, J. Chem. Phys. 130, 184106 (2009) ]</ref>
			*Monte Carlo Simulation of hard core models in the [[isothermal-isobaric ensemble\|isothermal isobaric ensemble]].<ref>[http://dx.doi.org/10.1063/1.3133328 N. G. Almarza, A cluster algorithm for Monte Carlo simulation at constant pressure, J. Chem. Phys. 130, 184106 (2009) ]</ref>

	== References ==		== References ==