SklogWiki - User contributions [en]

Recoil growth

2009-03-23T11:45:57Z

138.38.137.154:

Recoil growth is a Monte Carlo scheme for the efficient simulation of
multi-polymer systems. The method permits chains to be inserted into
the system using a biased growth technique. The growth proceeds via the use of a retractable feeler, which probes possible pathways ahead of the growing chain. By recoiling from traps and excessively dense
regions, the growth process yields high success rates for both chain
construction and acceptance.

#[http://dx.doi.org/10.1063/1.477844 "Recoil growth: An efficient simulation method for multi-polymer systems", J. Chem. Phys. '''110''', 3220 (1999).]
[[category: Monte Carlo]]
[[category: computer simulation techniques]]

Recoil growth

2009-03-23T11:42:55Z

138.38.137.154:

Recoil growth is a Monte Carlo scheme for the efficient simulation of
multi-polymer systems. The method permits chains to be inserted into
the system using a biased growth technique. The growth proceeds via the use of a retractable feeler, which probes possible pathways ahead of the growing chain. By recoiling from traps and excessively dense
regions, the growth process yields high success rates for both chain
construction and acceptance.

Recoil growth: An efficient simulation method for multi-polymer systems
J. Chem. Phys. 110, 3220 (1999); DOI:10.1063/1.477844

Recoil growth

2009-03-23T11:41:23Z

138.38.137.154: New page: Recoil grouwth is a Monte Carlo scheme for the efficient simulation of multi-polymer systems. The method permits chains to be inserted into the system using a biased growth technique. The ...

Recoil grouwth is a Monte Carlo scheme for the efficient simulation of
multi-polymer systems. The method permits chains to be inserted into
the system using a biased growth technique. The growth proceeds via the use of a retractable feeler, which probes possible pathways ahead of the growing chain. By recoiling from traps and excessively dense
regions, the growth process yields high success rates for both chain
construction and acceptance.

Monte Carlo

2009-03-23T11:39:37Z

138.38.137.154:

*[[Basin-hopping Monte Carlo]]
*[[Cluster algorithms]]
*[[Configurational bias Monte Carlo]]
*[[Constant-pressure Monte Carlo]]
*[[Detailed balance]]
*[[Fragment regrowth Monte Carlo]]
*[[Gibbs-Duhem integration]]
*[[Gibbs ensemble Monte Carlo]]
*[[Glauber transition probabilities]] also known as: Barkers method
*[[Histogram reweighting]]
*[[Importance sampling]]
*[[Inverse Monte Carlo]]
*[[Lattice simulations (Polymers)]]
*[[Markov chain]]
*[[Metropolis Monte Carlo]]
*[[Metropolis-Hastings Monte Carlo]]
*[[Grand canonical Monte Carlo | Grand-canonical Monte Carlo]]
*[[Monte Carlo in the microcanonical ensemble]]
*[[Monte Carlo reptation moves]]
*[[Overlapping distribution method]]
*[[Phase switch Monte Carlo]]
*[[Quantum Monte Carlo]]
*[[Random numbers]]
*[[Recoil Growth]]
*[[Reverse Monte Carlo]]
*[[Simulated annealing]]
*[[Umbrella sampling]]
*[[Wang-Landau method]]
==Historical papers==
*[http://links.jstor.org/sici?sici=0162-1459%28194909%2944%3A247%3C335%3ATMCM%3E2.0.CO%3B2-3 Nicholas Metropolis and S. Ulam "The Monte Carlo Method", Journal of the American Statistical Association '''44''' pp. 335-341 (1949)]
==General reading==
*[http://dx.doi.org/10.2277/0521842387 David P. Landau and Kurt Binder "A Guide to Monte Carlo Simulations in Statistical Physics", Cambridge University Press]
[[category: Computer simulation techniques]]

Phase switch Monte Carlo

2009-03-23T11:35:22Z

138.38.137.154:

Phase Switch Monte Carlo is a general simulation approach for sampling the disjoint configuration spaces associated with coexisting phases within a single simulation. The method employs biased sampling techniques to enhance the probabilities of gateway states (in each phase) which are such that a global switch to the other phase can be implemented. Equilibrium coexistence parameters can be determined directly; statistical uncertainties prescribed transparently; and finite-size effects quantified systematically. The method is particular useful in cases where one or both of the coexisting phases is a solid.

==References==
#[http://dx.doi.org/10.1103/PhysRevLett.79.3002 A. D. Bruce, N. B. Wilding, and G. J. Ackland "Free Energy of Crystalline Solids: A Lattice-Switch Monte Carlo Method", Physical Review Letters '''79''' pp. 3002-3005 (1997)]
#[http://dx.doi.org/10.1103/PhysRevLett.85.5138 N. B. Wilding and A. D. Bruce "Freezing by Monte Carlo Phase Switch", Physical Review Letters '''85''' pp. 5138-5141 (2000)]
#[http://dx.doi.org/10.1063/1.1632147 Nigel B. Wilding "Phase Switch Monte Carlo", AIP Conference Proceedings '''690''' pp. 349-355 (2003)]
#[http://dx.doi.org/10.1002/0471466603.ch1 Alastair D. Bruce and Nigel B. Wilding "Computational Strategies for Mapping Equilibrium Phase Diagrams", Advances in Chemical Physics '''127''' pp. 1-64 (2003)]
#[http://dx.doi.org/10.1063/1.2166395 G.C. McNeil-Watson and N.B. Wilding "Freezing line of the Lennard-Jones fluid: a Phase Switch Monte Carlo Study", Journal of Chemical Physics '''124''', 064504 (2006).]
[[category: Monte Carlo]]
[[category: computer simulation techniques]]

Phase switch Monte Carlo

2009-03-23T11:34:34Z

138.38.137.154:

Phase Switch Monte Carlo is a general simulation approach for sampling the disjoint configuration spaces associated with coexisting phases within a single simulation. The method employs biased sampling techniques to enhance the probabilities of gateway states (in each phase) which are such that a global switch to the other phase can be implemented. Equilibrium coexistence parameters can be determined directly; statistical uncertainties prescribed transparently; and finite-size effects quantified systematically. The method is particular useful in cases where one or both of the coexisting phases is a solid.

==References==
#[http://dx.doi.org/10.1103/PhysRevLett.79.3002 A. D. Bruce, N. B. Wilding, and G. J. Ackland "Free Energy of Crystalline Solids: A Lattice-Switch Monte Carlo Method", Physical Review Letters '''79''' pp. 3002-3005 (1997)]
#[http://dx.doi.org/10.1103/PhysRevLett.85.5138 N. B. Wilding and A. D. Bruce "Freezing by Monte Carlo Phase Switch", Physical Review Letters '''85''' pp. 5138-5141 (2000)]
#[http://dx.doi.org/10.1063/1.1632147 Nigel B. Wilding "Phase Switch Monte Carlo", AIP Conference Proceedings '''690''' pp. 349-355 (2003)]
#[http://dx.doi.org/10.1002/0471466603.ch1 Alastair D. Bruce and Nigel B. Wilding "Computational Strategies for Mapping Equilibrium Phase Diagrams", Advances in Chemical Physics '''127''' pp. 1-64 (2003)]
#[http://dx.doi.org/ 10.1063/1.2166395 G.C. McNeil-Watson and N.B. Wilding "Freezing line of the Lennard-Jones fluid: a Phase Switch Monte Carlo Study", Journal of Chemical Physics '''124''', 064504 (2006).]
[[category: Monte Carlo]]
[[category: computer simulation techniques]]

Phase switch Monte Carlo

2009-03-23T11:30:25Z

138.38.137.154:

Phase Switch Monte Carlo is a general simulation approach for sampling the disjoint configuration spaces associated with coexisting phases within a single simulation. The method employs biased sampling techniques to enhance the probabilities of gateway states (in each phase) which are such that a global switch to the other phase can be implemented. Equilibrium coexistence parameters can be determined directly; statistical uncertainties prescribed transparently; and finite-size effects quantified systematically. The method is particular useful in cases where one or both of the coexisting phases is a solid.

==References==
#[http://dx.doi.org/10.1103/PhysRevLett.79.3002 A. D. Bruce, N. B. Wilding, and G. J. Ackland "Free Energy of Crystalline Solids: A Lattice-Switch Monte Carlo Method", Physical Review Letters '''79''' pp. 3002-3005 (1997)]
#[http://dx.doi.org/10.1103/PhysRevLett.85.5138 N. B. Wilding and A. D. Bruce "Freezing by Monte Carlo Phase Switch", Physical Review Letters '''85''' pp. 5138-5141 (2000)]
#[http://dx.doi.org/10.1063/1.1632147 Nigel B. Wilding "Phase Switch Monte Carlo", AIP Conference Proceedings '''690''' pp. 349-355 (2003)]
#[http://dx.doi.org/10.1002/0471466603.ch1 Alastair D. Bruce and Nigel B. Wilding "Computational Strategies for Mapping Equilibrium Phase Diagrams", Advances in Chemical Physics '''127''' pp. 1-64 (2003)]

[[category: Monte Carlo]]
[[category: computer simulation techniques]]

Phase switch Monte Carlo

2009-03-23T11:26:02Z

138.38.137.154: /* References */

{{stub-general}}
Phase Switch Monte Carlo is a general simulation approach for sampling the disjoint configuration spaces associated with coexisting phases within a single simulation. The method employs biased sampling techniques to enhance the probabilities of gateway states (in each phase) which are such that a global switch to the other phase can be implemented. Equilibrium coexistence parameters can be determined directly; statistical uncertainties prescribed transparently; and finite-size effects quantified systematically. The method is particular useful in cases where one or both of the coexisting phases is a solid.

==References==
#[http://dx.doi.org/10.1103/PhysRevLett.79.3002 A. D. Bruce, N. B. Wilding, and G. J. Ackland "Free Energy of Crystalline Solids: A Lattice-Switch Monte Carlo Method", Physical Review Letters '''79''' pp. 3002-3005 (1997)]
#[http://dx.doi.org/10.1103/PhysRevLett.85.5138 N. B. Wilding and A. D. Bruce "Freezing by Monte Carlo Phase Switch", Physical Review Letters '''85''' pp. 5138-5141 (2000)]
#[http://dx.doi.org/10.1063/1.1632147 Nigel B. Wilding "Phase Switch Monte Carlo", AIP Conference Proceedings '''690''' pp. 349-355 (2003)]
#[http://dx.doi.org/10.1002/0471466603.ch1 Alastair D. Bruce and Nigel B. Wilding "Computational Strategies for Mapping Equilibrium Phase Diagrams", Advances in Chemical Physics '''127''' pp. 1-64 (2003)]
[[category: Monte Carlo]]
[[category: computer simulation techniques]]