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Original Articles

Simulation of phase transitions via spatial updating and tempering

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Pages 535-543 | Received 01 Nov 2009, Accepted 02 Feb 2010, Published online: 03 Aug 2010

References

  • Orkoulas , G. 2007 . Acceleration of Monte Carlo simulations through spatial updating in the grand canonical ensemble . J. Chem. Phys. , 127 : 084106-1 – 084106-9 .
  • O'Keeffe , C.J. , Ren , R. and Orkoulas , G. 2007 . Spatial updating grand canonical Monte Carlo algorithms for fluid simulation: Generalization to continuous potentials and parallel implementation . J. Chem. Phys. , 127 : 194103-1 – 194103-8 .
  • Norman , G.E. and Filinov , V.S. 1969 . Investigations of phase transitions by a Monte Carlo method . High Temp. (USSR) , 7 : 216 – 222 .
  • Adams , D.J. 1975 . Grand canonical ensemble Monte Carlo for a Lennard-Jones fluid . Mol. Phys. , 29 : 307 – 311 .
  • Swendsen , R.H. and Wang , J.-S. 1987 . Nonuniversal critical dynamics in Monte Carlo simulations . Phys. Rev. Lett. , 58 : 86 – 88 .
  • Wolff , U. 1989 . Collective Monte Carlo updating for spin systems . Phys. Rev. Lett. , 62 : 361 – 364 .
  • Berg , B.A. and Neuhaus , T. 1992 . Multicanonical ensemble: A new approach to simulate first-order phase transitions . Phys. Rev. Lett. , 68 : 9 – 12 .
  • Lee , J. 1993 . New Monte Carlo algorithm: Entropic sampling . Phys. Rev. Lett. , 71 : 211 – 214 .
  • Wang , F. and Landau , D.P. 2001 . Efficient multiple-range random walk to calculate the density of states . Phys. Rev. Lett. , 86 : 2050 – 2053 .
  • Marinari , E. and Parisi , G. 1992 . Simulated tempering: A new Monte Carlo scheme . Europhys. Lett. , 19 : 451 – 458 .
  • Lyubartsev , A.P. , Martinovski , A.A. , Shevkunov , S.V. and Vorontsov-Velyaminov , P.N. 1992 . New approach to Monte Carlo calculation of the free energy: Method of expanded ensembles . J. Chem. Phys. , 96 : 1776 – 1783 .
  • Swendsen , R.H. and Wang , J.-S. 1986 . Replica Monte Carlo simulation of spin glasses . Phys. Rev. Lett. , 75 : 2607 – 2609 .
  • Hukushima , K. and Nemoto , K. 1996 . Exchange Monte Carlo method and application of spin glass simulations . J. Phys. Soc. Jpn. , 65 : 1604 – 1608 .
  • Landau , D.P. and Binder , K. 2000 . A Guide to Monte Carlo Simulations in Statistical Physics , Cambridge : Cambridge University Press .
  • Orkoulas , G. and Noon , D.P. 2009 . Spatial updating in the great grand canonical ensemble . J. Chem. Phys. , 131 : 161106-1 – 161106-4 .
  • Ferrenberg , A.M. and Swendsen , R.H. 1988 . New Monte Carlo technique for studying phase transitions . Phys. Rev. Lett. , 61 : 2635 – 2638 .
  • Ferrenberg , A.M. and Swendsen , R.H. 1989 . Optimized Monte Carlo data analysis . Phys. Rev. Lett. , 63 : 1195 – 1198 .
  • Orkoulas , G. , Fisher , M.E. and Panagiotopoulos , A.Z. 2001 . Precise simulation of criticality in asymmetric fluids . Phys. Rev. E , 63 : 051507-1 – 051507-14 .
  • Ren , R. and Orkoulas , G. 2007 . Parallel Markov chain Monte Carlo simulations . J. Chem. Phys. , 126 : 211102-1 – 211102-4 .
  • Fisher , M.E. and Barber , M.N. 1972 . Scaling theory for finite-size effects in the critical region . Phys. Rev. Lett. , 28 : 1516 – 1519 .
  • Binder , K. 1997 . Applications of Monte Carlo methods to statistical physics . Rep. Prog. Phys. , 60 : 487 – 559 .
  • Fisher , M.E. 1974 . The renormalization group in the theory of critical behavior . Rev. Mod. Phys. , 46 : 597 – 616 .
  • Kim , Y.C. and Fisher , M.E. 2003 . Asymmetric fluid criticality. II. Finite-size scaling for simulations . Phys. Rev. E , 68 : 041506-1 – 041506-23 .
  • Siepmann , J.I. 1990 . A method for the direct calculation of chemical potentials for dense chain systems . Mol. Phys. , 70 : 1145 – 1158 .
  • Frenkel , D. and Smit , B. 1992 . Unexpected length dependence of the solubility of chain molecules . Mol. Phys. , 75 : 983 – 988 .
  • de Pablo , J.J. , Laso , M. and Suter , U.W. 1992 . Estimation of the chemical potential of chain molecules by simulation . J. Chem. Phys. , 96 : 6157 – 6162 .
  • Orkoulas , G. and Panagiotopoulos , A.Z. 1994 . Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations . J. Chem. Phys. , 101 : 1452 – 1459 .
  • Orkoulas , G. and Panagiotopoulos , A.Z. 1999 . Phase behavior of the restricted primitive model and square-well fluids from Monte Carlo simulations in the grand canonical ensemble . J. Chem. Phys. , 110 : 1581 – 1590 .
  • Ferrenberg , A.M. and Landau , D.P. 1991 . Critical behavior of the three-dimensional Ising model: A high-resolution Monte Carlo study . Phys. Rev. B , 44 : 5081 – 5091 .
  • Predescu , C. , Predescu , M. and Ciobanu , C.V. 2004 . The incomplete beta function law for parallel tempering sampling of classical canonical systems . J. Chem. Phys. , 120 : 4119 – 4128 .
  • Rathore , N. , Chopra , M. and de Pablo , J.J. 2005 . Optimal allocation of replicas in parallel tempering simulations . J. Chem. Phys. , 122 : 024111-1 – 024111-8 .
  • Kone , A. and Kofke , D.A. 2005 . Selection of temperature intervals for parallel-tempering simulations . J. Chem. Phys. , 122 : 206101-1 – 206101-2 .

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