New Monte Carlo Methods for Improved Efficiency of Computer Simulations in Statistical Mechanics

In this paper, we have reviewed two complementary new approaches to improve the accuracy and efficiency of Monte Carlo computer simulations in the study of phase transitions. Substantial gains have already been achieved, and since these methods represent approaches to the problem of simulation that are still being developed, they promise further improvements in the future. In both cases, a key feature is the lifting of the restriction of thinking about computer simulations as simply “computer experiments,” and recognising that there are certain aspects of simulations that can be exploited to greatly increase their value.

[1]  T. D. Lee,et al.  Statistical Theory of Equations of State and Phase Transitions. I. Theory of Condensation , 1952 .

[2]  N. Metropolis,et al.  Equation of State Calculations by Fast Computing Machines , 1953, Resonance.

[3]  W. Fickett,et al.  Application of the Monte Carlo Method to the Lattice‐Gas Model. I. Two‐Dimensional Triangular Lattice , 1959 .

[4]  Dwayne A. Chesnut,et al.  Monte Carlo Procedure for Statistical Mechanical Calculations in a Grand Canonical Ensemble of Lattice Systems , 1963 .

[5]  I. R. Mcdonald,et al.  Calculation of thermodynamic properties of liquid argon from Lennard-Jones parameters by a Monte Carlo method , 1967 .

[6]  D. N. Card,et al.  Monte Carlo Estimation of the Free Energy by Multistage Sampling , 1972 .

[7]  C. Fortuin,et al.  On the random-cluster model: I. Introduction and relation to other models , 1972 .

[8]  K. Binder,et al.  Dynamic properties of the Monte Carlo method in statistical mechanics , 1973 .

[9]  K. Wilson Confinement of Quarks , 1974 .

[10]  G. Torrie,et al.  Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluid , 1974 .

[11]  Charles H. Bennett,et al.  Efficient estimation of free energy differences from Monte Carlo data , 1976 .

[12]  Raoul Kopelman,et al.  Percolation and cluster distribution. I. Cluster multiple labeling technique and critical concentration algorithm , 1976 .

[13]  P. Hohenberg,et al.  Theory of Dynamic Critical Phenomena , 1977 .

[14]  G. Torrie,et al.  Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling , 1977 .

[15]  D. Stauffer Scaling Theory of Percolation Clusters , 1979, Complex Media and Percolation Theory.

[16]  K. Binder Monte Carlo methods in statistical physics , 1979 .

[17]  Antonio Coniglio,et al.  Clusters and Ising critical droplets: a renormalisation group approach , 1980 .

[18]  J. W. Essam,et al.  Percolation theory , 1980 .

[19]  Kurt Binder,et al.  Critical Properties from Monte Carlo Coarse Graining and Renormalization , 1981 .

[20]  Giorgio Parisi,et al.  Complex zeros in the partition function of the four-dimensional SU(2) lattice gauge model , 1982 .

[21]  K. Schmidt Using renormalization-group ideas in Monte Carlo sampling , 1983 .

[22]  Mark Sweeny Monte Carlo study of weighted percolation clusters relevant to the Potts models , 1983 .

[23]  Chin-Kun Hu Site-bond-correlated percolation and a sublattice dilute Potts model at finite temperatures , 1984 .

[24]  E. Marinari,et al.  Complex zeroes of the d = 3 Ising model: Finite-size scaling and critical amplitudes , 1984 .

[25]  Prolegomena to any Future Computer Evaluation of the QCD Mass Spectrum , 1984 .

[26]  Chin-Kun Hu,et al.  Percolation, clusters, and phase transitions in spin models , 1984 .

[27]  I. M. Singer,et al.  Progress in Gauge Field Theory , 1984 .

[28]  K. Wilson,et al.  Langevin simulations of lattice field theories. , 1985, Physical review. D, Particles and fields.

[29]  Young,et al.  Search for a transition in the three-dimensional , 1985, Physical review letters.

[30]  K. Binder The Monte Carlo method for the study of phase transitions: A review of some recent progress , 1985 .

[31]  Morgenstern,et al.  Critical behavior of three-dimensional Ising spin-glass model. , 1985, Physical review letters.

[32]  Ogielski,et al.  Dynamics of three-dimensional Ising spin glasses in thermal equilibrium. , 1985, Physical review. B, Condensed matter.

[33]  Hierarchical Monte Carlo simulation of the Ising model , 1986 .

[34]  Wang,et al.  Replica Monte Carlo simulation of spin glasses. , 1986, Physical review letters.

[35]  Goodman,et al.  Multigrid Monte Carlo method for lattice field theories. , 1986, Physical review letters.

[36]  Gyan Bhanot,et al.  On solving four-dimensional SU (2) gauge theory by numerically finding its partition function , 1987 .

[37]  J. Mccammon,et al.  Dynamics of Proteins and Nucleic Acids , 2018 .

[38]  Salvador,et al.  Accurate estimate of nu for the three-dimensional Ising model from a numerical measurement of its partition function. , 1987, Physical review letters.

[39]  Gyan Bhanot,et al.  The partition function of Z(2) and Z(8) lattice gauge theory in four dimensions, a novel approach to simulations of lattice systems , 1987 .

[40]  Wang,et al.  Nonuniversal critical dynamics in Monte Carlo simulations. , 1987, Physical review letters.

[41]  Brown,et al.  Overrelaxed heat-bath and Metropolis algorithms for accelerating pure gauge Monte Carlo calculations. , 1987, Physical review letters.

[42]  Gyan Bhanot,et al.  A new method for the partition function of discrete systems with application to the 3D Ising model , 1987 .

[43]  Creutz,et al.  Overrelaxation and Monte Carlo simulation. , 1987, Physical review. D, Particles and fields.

[44]  Kogut,et al.  Numerical analysis of accelerated stochastic algorithms near a critical temperature. , 1987, Physical review letters.

[45]  Ulli Wolff,et al.  Monte Carlo simulation of a lattice field theory as correlated percolation , 1988 .

[46]  Wolff Lattice field theory as a percolation process. , 1988, Physical review letters.

[47]  Ron,et al.  Simulations without critical slowing down. , 1988, Physical review letters.

[48]  M. Karplus,et al.  Proteins: A Theoretical Perspective of Dynamics, Structure, and Thermodynamics , 1988 .

[49]  Alan M. Ferrenberg,et al.  New Monte Carlo technique for studying phase transitions. , 1988, Physical review letters.

[51]  F. Niedermayer,et al.  General cluster updating method for Monte Carlo simulations. , 1988, Physical review letters.

[52]  Metropolis overrelaxation for lattice gauge theory for general relaxation parameter omega. , 1988, Physical review. D, Particles and fields.

[53]  A. Sokal,et al.  Generalization of the Fortuin-Kasteleyn-Swendsen-Wang representation and Monte Carlo algorithm. , 1988, Physical review. D, Particles and fields.

[54]  Wang,et al.  Monte Carlo renormalization-group study of Ising spin glasses. , 1988, Physical Review B (Condensed Matter).

[55]  Wang,et al.  Low-temperature properties of the , 1988, Physical review. B, Condensed matter.

[56]  Wang,et al.  Monte Carlo and high-temperature-expansion calculations of a spin-glass effective Hamiltonian. , 1988, Physical review. B, Condensed matter.

[57]  Binder-Challa-Landau cumulant and lattice gauge theories: The order of the deconfinement transition. , 1989, Physical review. D, Particles and fields.

[58]  H. Kleinert,et al.  Finite-size scaling study of the Laplacian roughening model , 1989 .

[59]  Goodman,et al.  Multigrid Monte Carlo method. Conceptual foundations. , 1989, Physical review. D, Particles and fields.

[60]  Dynamic critical behavior of Wolff's collective-mode Monte Carlo algorithm for the two-dimensional O(n) nonlinear sigma model. , 1989, Physical review. D, Particles and fields.

[61]  Jian-Sheng Wang,et al.  The critical behaviour of the three-dimensional dilute Ising model : universality and the Harris criterion , 1989 .

[62]  Four-flavor QCD with intermediate- and light-mass quarks. , 1989, Physical review. D, Particles and fields.

[63]  Z. Alexandrowicz Swendsen-Wang simulation of Ising spins and a precise definition of critical clusters , 1989 .

[64]  Alan M. Ferrenberg,et al.  Optimized Monte Carlo data analysis. , 1989, Physical review letters.

[65]  Using the Ferrenberg-Swendsen Monte Carlo method for nonuniversal exponents , 1989 .

[66]  Wang,et al.  Antiferromagnetic Potts models. , 1989, Physical review letters.

[67]  Ray,et al.  Mean-field study of the Swendsen-Wang dynamics. , 1989, Physical review. A, General physics.

[68]  Jansen,et al.  Cluster algorithms in the O(4) phi4 theory in four dimensions. , 1989, Physical review letters.

[69]  Li,et al.  Rigorous lower bound on the dynamic critical exponents of the Swendsen-Wang algorithm. , 1989, Physical review letters.

[70]  Fukugita,et al.  Order of the deconfining phase transition in SU(3) lattice gauge theory. , 1989, Physical review letters.

[71]  Monte Carlo study of the Potts model on the square and the simple cubic lattices. , 1989, Physical review. B, Condensed matter.

[72]  Monte Carlo renormalization group with evolution in the space of parameters. , 1989, Physical review. A, General physics.

[73]  Brower,et al.  Embedded dynamics for phi4 theory. , 1989, Physical review letters.

[74]  Damage spreading in 3D Ising model with Swendsen-Wang dynamics , 1989 .

[75]  Jian-Sheng Wang Clusters in the three-dimensional Ising model with a magnetic field , 1989 .

[76]  Brandt,et al.  Simulations without critical slowing down: Ising and three-state Potts models. , 1989, Physical review. B, Condensed matter.

[77]  Anthony N. Burkitt,et al.  EXPONENTIAL RELAXATION OUT OF NONEQUILIBRIUM , 1989 .

[78]  U. Wolff Comparison Between Cluster Monte Carlo Algorithms in the Ising Model , 1989 .

[79]  A. Coniglio,et al.  Exact relations between droplets and thermal fluctuations in external field , 1989 .

[80]  E. Stoll Suppressing critical slowing down in two-dimensional Ising model simulations by the multigrid Monte Carlo method , 1989 .

[81]  Ulli Wolff,et al.  Collective Monte Carlo Updating in a High Precision Study of the X-y Model , 1989 .

[82]  Wolff,et al.  Collective Monte Carlo updating for spin systems. , 1989, Physical review letters.

[83]  F. Karsch,et al.  On the order of the phase transition in the 3D three-state Potts model with anti-ferromagnetic next-to-nearest neighbour coupling , 1989 .

[84]  Scaling Ansatz for Swendsen-Wang dynamics. , 1989, Physical review letters.

[85]  R. Brower,et al.  Single-cluster Monte Carlo dynamics for the Ising model , 1990 .

[86]  Wang,et al.  Three-state antiferromagnetic Potts models: A Monte Carlo study. , 1990, Physical review. B, Condensed matter.

[87]  Jian-Sheng Wang,et al.  The three-dimensional dilute Ising magnet , 1990 .

[88]  First- and second-order transitions in the quantum hard-rod system by Monte Carlo simulation. , 1990, Physical review. B, Condensed matter.

[89]  Kevin J. M. Moriarty,et al.  Information optimization for Monte Carlo data and application to high-temperature quantum chromodynamics , 1990, Proceedings SUPERCOMPUTING '90.

[90]  Kandel,et al.  Cluster dynamics for fully frustrated systems. , 1990, Physical review letters.

[91]  F. Niedermayer Improving the improved estimator in O(N) spin models , 1990 .

[92]  W. Janke Test of single cluster update for the three-dimensional XY model , 1990 .

[93]  R. Swendsen,et al.  Cluster Monte Carlo algorithms , 1990 .

[94]  V. B. Andreichenko,et al.  The Two-Dimensional Random Bond Ising Model at Criticality—A Monte Carlo Study , 1990 .

[95]  Using histograms in the study of the thermodynamics of QCD at finite temperature , 1990 .

[96]  Anthony N. Burkitt,et al.  Parallelization of the Ising model and its performance evaluation , 1990, Parallel Comput..

[97]  Martin Hasenbusch,et al.  Improved estimators for a cluster updating of O(n) spin models , 1990 .

[98]  Jian-Sheng Wang,et al.  Metastability and nucleation in Ising models with Swendsen-Wang dynamics , 1990 .

[99]  Search for critical points in the SU(2) Higgs model. , 1990, Physical review. D, Particles and fields.

[100]  K. Binder,et al.  Monte Carlo study of the ising model phase transition in terms of the percolation transition of “physical clusters” , 1990 .

[101]  David P. Landau,et al.  Computer Simulation Studies in Condensed Matter Physics II , 1990 .

[102]  Jian-Sheng Wang Critical dynamics of the Swendsen-Wang algorithm in the three-dimensional Ising model , 1990 .

[103]  D. Stauffer,et al.  Fractal dimension of 3D Ising droplets , 1990 .

[104]  Critical acceleration of lattice gauge simulations , 1990 .

[105]  Anthony N. Burkitt,et al.  System size dependence of the autocorrelation time for the Swendsen-Wang Ising model , 1990 .

[106]  M. Fukugita,et al.  Finite-size scaling of the three-state Potts model on a simple cubic lattice , 1990 .

[107]  T. Ray,et al.  Properties of metastable ising models evolving under the Swendsen-Wang dynamics , 1990 .

[108]  Berg,et al.  Ising-model Monte Carlo simulations: Density of states and mass gap. , 1990, Physical review. B, Condensed matter.

[109]  Martin Hasenbusch,et al.  Critical exponents of the 3D XY model from cluster update Monte Carlo , 1990 .

[110]  V. B. Andreichenko,et al.  The critical behaviour of the two-dimensional dilute Ising magnet , 1990 .

[111]  Clive F. Baillie,et al.  Cluster Identification Algorithms for Spin Models - Sequential and Parallel , 1991, Concurr. Pract. Exp..

[112]  Li,et al.  Rigorous lower bound on the dynamic critical exponent of some multilevel Swendsen-Wang algorithms. , 1991, Physical review letters.

[113]  Alan M. Ferrenberg,et al.  Critical behavior of the three-dimensional Ising model: A high-resolution Monte Carlo study. , 1991, Physical review. B, Condensed matter.

[114]  Nóvotný,et al.  Reweighting in Monte Carlo and Monte Carlo renormalization-group studies. , 1991, Physical review. B, Condensed matter.

[115]  Cluster-update acceleration of interface roughening in the 3D Ising model. , 1991, Physical review letters.

[116]  Hidetoshi Mino,et al.  A vectorized algorithm for cluster formation in the Swendsen-Wang dynamics , 1991 .

[117]  Chin-Kun Hu,et al.  FORTRAN code for the cluster Monte Carlo study of the q-state Potts model on D-dimensional hypercubic lattices , 1991 .