Monte Carlo simulation of lattice models for macromolecules

Equation of State Calculations by Fast Computing Machines

1953 • 34,935 citations

Principles of Polymer Chemistry.

1954 • 16,197 citations

Principles of polymer chemistry

1995 • 15,622 citations

Phase Transitions and Critical Phenomena

2016 • 11,666 citations

Scaling concepts in polymer physics

1981 • 10,468 citations

Scaling Concepts in Polymer Physics

1980 • 9,637 citations

Statistical mechanics of chain molecules

1969 • 6,455 citations

Theory of dynamic critical phenomena

1977 • 6,393 citations

Reptation of a Polymer Chain in the Presence of Fixed Obstacles

1971 • 4,010 citations

A Theory of the Linear Viscoelastic Properties of Dilute Solutions of Coiling Polymers

1953 • 4,006 citations

Introduction to Percolation Theory

1985 • 3,764 citations

Modern Theory of Polymer Solutions

1971 • 2,904 citations

Some Topics in the Theory of Fluids

1963 • 2,856 citations

Methods in Computational Physics

1964 • 2,231 citations

Solutions of Long Chain Compounds

1941 • 1,743 citations

The Dimensions of Chain Molecules Containing Branches and Rings

1949 • 1,740 citations

Molecular dynamics simulation for polymers in the presence of a heat bath

1986 • 1,730 citations

Critical exponents from field theory

1980 • 1,719 citations

The renormalization group in the theory of critical behavior

1974 • 1,465 citations

Thermodynamics of High Polymer Solutions

1941 • 1,370 citations

Dynamics of concentrated polymer systems. Part 1.—Brownian motion in the equilibrium state

1978 • 1,307 citations

The bond fluctuation method: a new effective algorithm for the dynamics of polymers in all spatial dimensions

1988 • 1,238 citations

Critical Exponents for the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>n</mml:mi></mml:math>-Vector Model in Three Dimensions from Field Theory

1977 • 1,177 citations

Monte Carlo Calculation of the Average Extension of Molecular Chains

1955 • 1,047 citations

Exponents for the excluded volume problem as derived by the Wilson method

1972 • 1,003 citations

Exact Critical Point and Critical Exponents of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">O</mml:mi><mml:mn /><mml:mo>(</mml:mo><mml:mi>n</mml:mi><mml:mo>)</mml:mo><mml:mn /></mml:math>Models in Two Dimensions

1982 • 971 citations

Gelation and critical phenomena

2007 • 906 citations

The pivot algorithm: A highly efficient Monte Carlo method for the self-avoiding walk

1988 • 895 citations

Dynamics of concentrated polymer systems. Part 2.—Molecular motion under flow

1978 • 664 citations

Adsorption of polymer chains at surfaces: Scaling and Monte Carlo analyses

1982 • 647 citations

Dynamics of concentrated polymer systems. Part 3.—The constitutive equation

1978 • 591 citations

Collapse of a polymer chain in poor solvents

1975 • 550 citations

Monte Carlo Calculations on the Dynamics of Polymers in Dilute Solution

1962 • 542 citations

Applications of the Monte Carlo Method in Statistical Physics

1984 • 520 citations

‘Monte Carlo’ computer simulation of chain molecules. I

1969 • 374 citations

Macromolecular dimensions obtained by an efficient Monte Carlo method without sample attrition

1975 • 365 citations

Geometrical cluster growth models and kinetic gelation

1986 • 354 citations

Statistical Error Due to Finite Time Averaging in Computer Experiments

1969 • 313 citations

Dynamic properties of the Monte Carlo method in statistical mechanics

1973 • 305 citations

Molecular dynamics simulation of polymer liquid and glass. I. Glass transition

1987 • 302 citations

New Method for the Statistical Computation of Polymer Dimensions

1959 • 294 citations

Poor Man’s Monte Carlo

1954 • 281 citations

Critical properties of the Flory–Huggins lattice model of polymer mixtures

1987 • 266 citations

Polymers and g|φ|4 theory in four dimensions

1983 • 252 citations

Structure of many arm star polymers: a molecular dynamics simulation

1987 • 251 citations

Tethered surfaces: Statics and dynamics

1987 • 242 citations

Chain Molecule Hydrodynamics by the Monte-Carlo Method and the Validity of the Kirkwood-Riseman Approximation

1980 • 237 citations

Configuration of terminally attached chains at the solid/solvent interface: self-consistent field theory and a Monte Carlo model

1987 • 235 citations

Finite size effects on phase transitions

1987 • 225 citations

A trapped polymer chain in random porous media

1987 • 224 citations

Polymers and scaling

1976 • 204 citations

New Monte Carlo method for the self-avoiding walk

1985 • 192 citations

Fluctuations and lack of self-averaging in the kinetics of domain growth

1986 • 189 citations

Analysis of Monte Carlo results on the kinetics of lattice polymer chains with excluded volume

1975 • 184 citations

Phase separation of polymer mixtures in the presence of solvent

1988 • 182 citations

Collapse transition and crossover scaling for self-avoiding walks on the diamond lattice

1982 • 179 citations

Random paths and random surfaces on a digital computer

1981 • 173 citations

Computer simulation of self-avoiding walks: Testing the scanning method

1983 • 165 citations

Monte Carlo Studies of Self-Interacting Polymer Chains with Excluded Volume. I. Squared Radii of Gyration and Mean-Square End-to-End Distances and Their Moments

1973 • 144 citations

Self-avoiding-walks (SAW's) on diluted lattices, a Monte Carlo analysis

1981 • 142 citations

Monte Carlo of Chains with Excluded Volume: a Way to Evade Sample Attrition

1969 • 140 citations

Collapse of a polymer chain

1975 • 139 citations

Monte Carlo Studies of Configurational and Thermodynamic Properties of Self-Interacting Linear Polymer Chains

1968 • 139 citations

Cluster expansion for a polymer chain

1972 • 139 citations

Kinetic Growth Walk: A New Model for Linear Polymers

1984 • 137 citations

Simulation of Polymer Motion

1984 • 128 citations

Dynamics of polymer chains confined into tubes: Scaling theory and Monte Carlo simulations

1984 • 127 citations

The Monte Carlo method for the study of phase transitions: A review of some recent progress

1985 • 125 citations

Monte Carlo studies on the freely jointed polymer chain with excluded volume interaction

1979 • 119 citations

Nonergodicity of local, length-conserving Monte Carlo algorithms for the self-avoiding walk

1987 • 117 citations

Computer simulation of long polymers adsorbed on a surface. II. Critical behavior of a single self-avoiding walk

1988 • 117 citations

Markoff Chains and Excluded Volume Effect in Polymer Chains

1950 • 115 citations

Monte Carlo studies of the melt–vacuum interface of a lattice polymer

1987 • 112 citations

Does reptation describe the dynamics of entangled, finite length polymer systems? A model simulation

1987 • 111 citations

Excluded volume in star polymers: chain conformation space renormalization group

1983 • 111 citations

Investigations of static properties of model bulk polymer fluids

1980 • 106 citations

A new Monte-Carlo approach to the critical properties of self-avoiding random walks

1983 • 105 citations

Is chemical mismatch important in polymer solutions?

1984 • 103 citations

Tricritical Polymer Chains in or below Three Dimensions

1986 • 97 citations

On three-dimensional self-avoiding walks

1985 • 96 citations

Probability of knots in a polymer ring

1982 • 95 citations

Position-space renormalisation group for isolated polymer chains

1981 • 95 citations

Computer Simulation of the Dynamics of a Single Polymer Chain

1978 • 94 citations

Monte Carlo studies of polymer chain dimensions in the melt

1982 • 90 citations

Monte Carlo study of dynamic universality in two-dimensional Potts models

1987 • 87 citations

Configuration of Isolated Polymer Molecules Adsorbed on Solid Surfaces Studied by Monte-Carlo Computer Simulation

1967 • 87 citations

Statistical Computation of Radii of Gyration and Mean Internal Dimensions of Polymer Molecules

1959 • 86 citations

Indefinitely Growing Self-Avoiding Walk

1985 • 86 citations

Computer simulation of the dynamics of highly entangled polymers. Part 1.—Equilibrium dynamics

1981 • 82 citations

Critical properties of incompatible polymer blends dissolved in a good solvent

1987 • 81 citations

Computer simulation of the free energy of polymer chains with excluded volume and with finite interactions

1985 • 80 citations

Monte Carlo studies on the long time dynamic properties of dense cubic lattice multichain systems. I. The homopolymeric melt

1987 • 79 citations

Polymer conformations through 'wiggling'

1985 • 78 citations

Statics and dynamics of polymeric melts: a numerical analysis

1983 • 78 citations

Collapse of a polymer : evidence for tricritical behaviour in two dimensions

1982 • 76 citations

Monte Carlo Studies of Lattice-Model Polymer Chains. II. End-to-End Length

1966 • 76 citations

Statistical Computation of Mean Dimensions of Macromolecules. III

1955 • 76 citations

Lattice models of branched polymers: dimensions of uniform stars

1986 • 74 citations

Internal transition in an infinitely long polymer chain

1975 • 73 citations

Self-avoiding polygons on the square, L and Manhattan lattices

1985 • 71 citations

Monte Carlo calculations for linear chains and star polymers with intermolecular interactions. 3. Dimensions and hydrodynamic properties in good solvent conditions

1987 • 71 citations

Monte Carlo studies of lattice-model polymer chains. III. Relaxation of Rouse coordinates

1973 • 71 citations

A new method for simulation of real chains: scanning future steps

1982 • 70 citations

Computer simulation of long polymers adsorbed on a surface. I. Corrections to scaling in an ideal chain

1988 • 68 citations

Untitled

1982 • 68 citations

Effect of bead movement rules on the relaxation of cubic lattice models of polymer chains

1983 • 68 citations

Lattice models of branched polymers: statistics of uniform stars

1986 • 67 citations

Dynamical critical exponent of the 3D Ising model

1987 • 66 citations

New simulation method for the equation of state of lattice chains

1987 • 66 citations

Application of the method of Pade approximants to the excluded volume problem

1975 • 65 citations

Equation of state for athermal lattice chains

1986 • 63 citations

Monte Carlo calculations for linear and star polymers with intramolecular interactions. 1. Dimensions

1986 • 63 citations

On the short time dynamics of dense polymeric systems and the origin of the glass transition: A model system

1986 • 63 citations

The critical behaviour of two-dimensional self-avoiding random walks

1982 • 63 citations

Mean-Square Intrachain Distances in a Self-Avoiding Walk

1969 • 62 citations

Statistical properties of biased sampling methods for long polymer chains

1988 • 61 citations

Monte Carlo renormalization of hard sphere polymer chains in two to five dimensions

1981 • 61 citations

Configurational Properties of Star-Branched Polymers

1977 • 60 citations

Using Renormalization-Group Ideas in Monte Carlo Sampling

1983 • 60 citations

Experimental Determinations of the Excluded-Volume Exponent in Different Environments

1974 • 58 citations

The Monte Carlo method in statistical calculations of macromolecules

1965 • 57 citations

On two-dimensional self-avoiding random walks

1984 • 57 citations

Simulation of the brownian motion of macromolecular chains. I. Local motions and chain conformations

1979 • 56 citations

Statistical Computation of Mean Dimensions of Macromolecules. II

1955 • 54 citations

Simulation of chain arrangement in bulk polymer, 1. Chain dimensions and distribution of the end‐to‐end distance

1982 • 54 citations

Monte Carlo series analysis of irreversible self-avoiding walks. I. The indefinitely-growing self-avoiding walk (IGSAW)

1985 • 52 citations

Lattice walk models of uniform star polymers with many arms

1987 • 52 citations

The shape of ring polymers

1985 • 49 citations

Corrections to scaling in self-avoiding walks

1983 • 49 citations

Monte Carlo study of systems of linear oligomers in two-dimensional spaces

1976 • 49 citations

Monte Carlo of Chains with Excluded Volume: Distribution of Intersegmental Distances

1971 • 49 citations

Monte Carlo studies on the long time dynamic properties of dense cubic lattice multichain systems. II. Probe polymer in a matrix of different degrees of polymerization

1987 • 48 citations

Concentration Dependence of the Mean Dimension of a Polymer Chain

1974 • 48 citations

Monte Carlo study of freely jointed ring polymers. I. Generation of ring polymers by dimerization method

1981 • 47 citations

Relaxation Behavior of the Freely Jointed Chain

1970 • 47 citations

A renormalization group analysis of ternary polymer solutions

1985 • 47 citations

Improved Statistical Method for Computing Mean Dimensions of Polymer Molecules

1957 • 46 citations

Survival Probability for Kinetic Self-Avoiding Walks

1985 • 46 citations

Monte Carlo calculations for linear and star polymers with intramolecular interactions. 2. Nonpreaveraged study of hydrodynamic properties at the θ state

1986 • 46 citations

Monte Carlo study of freely jointed ring polymers. II. The writhing number

1981 • 45 citations

Monte-Carlo studies of a polymer between planes, crossover between dimensionalities

1980 • 45 citations

The Laplacian Random Walk

1986 • 45 citations

Viscoelastic properties of entangled flexible polymers

1983 • 44 citations

Brownian Motion of Lattice-Model Polymer Chains

1969 • 43 citations

Internal chain conformations of star polymers

1984 • 43 citations

Self-avoiding random walks subject to external spatial constraints

1976 • 43 citations

Theoretical and numerical study of fractal dimensionality in self-avoiding walks

1982 • 43 citations

Monte Carlo study of lattice polymer dynamics

1977 • 42 citations

Strong Magnetic Fields Produced by Composition Discontinuities in Laser-Produced Plasmas

1974 • 41 citations

Phase transition of lattice polymer systems

1983 • 40 citations

Macromolecular dimensions obtained by an efficient Monte Carlo method: The mean square end-to-end separation

1979 • 40 citations

Towards an Explanation of the 3.4-Power Dependence of the Viscosity on Molecular Weight

1985 • 40 citations

Configuration properties of comb-branched polymers

1981 • 40 citations

Branched polymers attached in a wedge geometry

1987 • 39 citations

Statistical Computation of Mean Dimensions of Polymer Molecules. IV

1957 • 38 citations

Pair distribution function and pair potential of lattice model chains under theta conditions, 1. Numerical evaluation

1976 • 38 citations

Correction to scaling exponent for the two-dimensional self-avoiding walk

1985 • 37 citations

Scanning method with a mean-field parameter: computer simulation study of critical exponents of self-avoiding walks on a square lattice

1985 • 36 citations

Monte Carlo study of freely jointed ring polymers. III. The generation of undistorted perfect ring polymers

1981 • 36 citations

Loop-erased self-avoiding random walk and the Laplacian random walk

1987 • 36 citations

Monte Carlo Procedures for Generation of Nonintersecting Chains

1962 • 36 citations

Dynamic Monte Carlo Simulation of an Entangled Many-Polymer System

1982 • 35 citations

Effect of residual interactions on polymer properties near the theta point. II. Higher moments and comparison with Monte Carlo calculations

1987 • 35 citations

A lattice model of uniform star polymers

1985 • 34 citations

Method for estimating the entropy of macromolecules with computer simulation. Chains with excluded volume

1983 • 34 citations

Irreversible Statistical Mechanics of Polymer Chains. I. Fokker–Planck Diffusion Equation

1971 • 34 citations

Analysis of the model dependence of Monte Carlo results for the relaxation of the end-to-end distance of polymer chains

1977 • 33 citations

Computer simulation of three-dimensional multiple-chain systems: scaling laws and virial coefficients

1985 • 32 citations

Mean Dimension of a Polymer Chain in Athermal Solutions and in Bulk Phase

1975 • 31 citations

Monte Carlo calculation of the friction coefficient and viscosity number of wormlike star molecules

1984 • 31 citations

Spinodal decomposition of polymer films

1986 • 31 citations

Statistical thermodynamics and configurational structure of chains confined between surfaces. Part 1.—Excluded-volume chains confined between a pair of non-adsorbing planes

1981 • 30 citations

Monte Carlo Studies of Conformational Characteristics of Block Copolymer Chains in Solution

1976 • 30 citations

Some observations on kinetic walk models

1984 • 30 citations

Monte Carlo study of star‐branched polymers on the tetrahedral lattice. I. Conformation of the macromolecule

1982 • 30 citations

Correlation Length Exponent for the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">O</mml:mi><mml:mn /><mml:mo>(</mml:mo><mml:mi>n</mml:mi><mml:mo>)</mml:mo><mml:mn /></mml:math>Model in Two Dimensions for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>n</mml:mi><mml:mo>=</mml:mo><mml:mn>0</mml:mn><mml:mn /></mml:math>

1983 • 30 citations

Thermodynamical Properties Related to Chemical Potentials of Chain Molecules in Solutions by Computer Simulation

1979 • 29 citations

Persistency of two-dimensional self-avoiding walks

1987 • 29 citations

A simulation model for the study of the motion of random-coil polymer chains

1969 • 28 citations

New method of analysing self-avoiding walks in four dimensions

1982 • 28 citations

Computer simulation of the dynamics of highly entangled polymers. Part 2.—Static properties of the primitive chain

1981 • 28 citations

Computer simulation technique for calculating the entropy of polymer chains, based on the scanning method with a mean-field parameter

1985 • 27 citations

Two-dimensional polymers: universality and correction to scaling

1985 • 27 citations

Monte Carlo series analysis of irreversible self-avoiding walks. II. The growing self-avoiding walk

1986 • 27 citations

The Excluded Volume Effect of Very-long-chain Molecules

1968 • 26 citations

Simulation of the relaxation of random-coil polymer chains by lattice models with excluded volume: The effect of bead movement rules

1979 • 25 citations

The winding angle of planar self-avoiding walks

1984 • 25 citations

Excluded Volume Effect in Polymer Chains. I

1951 • 25 citations

New approach to self-avoiding walks as a critical phenomenon

1982 • 24 citations

Monte Carlo studies of the excluded volume problem for polymer chains in the continuum. I. Use of inversely restricted sampling techniques

1975 • 23 citations

Mean-square intrachain separations for self-avoiding random walks and ring closures on the diamond lattice

1970 • 23 citations

Weighting methods for Monte-Carlo calculation of polymer configurations

1972 • 23 citations

Investigations of static properties of two-dimensional bulk polymer systems

1981 • 23 citations

Monte Carlo of Long Lattice Chains. Variation of the Excluded Volume

1973 • 23 citations

Tricritical relaxation in an Ising-Glauber model with competing interactions

1976 • 22 citations

On the correction-to-scaling exponent of linear polymers in two dimensions

1986 • 21 citations

Statistical Computation of Configuration and Free Volume of a Polymer Molecule with Solvent Interaction

1963 • 21 citations

Distribution of end-to-end lengths of self-avoiding walks on the diamond lattice

1970 • 20 citations

Reflecting and absorbing boundary conditions on the tail of the Laplacian random walk

1986 • 20 citations

Dynamic Monte Carlo simulations of dense polymer systems on the tetrahedral lattice: A liquid-glass-type transition

1984 • 20 citations

Critical exponents and scaling functions of a self-avoiding walk interacting with a defect plane

1985 • 20 citations

Simulation of chain molecules in solutions at finite concentrations under several solvent conditions

1979 • 19 citations

Effect of variable excluded volume on dynamics of lattice chains

1984 • 18 citations

Adsorption of a Theta Polymer: Competition Between Mean-Field and Multicritical Behaviour

1987 • 17 citations

Scaling relations of two-dimensional athermal multichain systems by computer simulation

1983 • 17 citations

Monte carlo calculations of the ⊝ point of star-branched macromolecules on tetrahedral lattice

1982 • 16 citations

A Monte Carlo method for series expansions

1986 • 16 citations

Monte carlo study of star-branched polymers on the tetrahedral lattice. II. Statistical thermodynamics of single macromolecules

1984 • 15 citations

Excluded Volume Effect in Polymer Chains

1963 • 15 citations

Hydrodynamic properties of flexible branched chains. Monte Carlo nonpreaveraged calculations for stars and preaveraged results for combs

1984 • 14 citations

Efficient dynamical Monte Carlo method for dense polymer systems

1984 • 14 citations

“Machine” experimental study of the structure of amorphous polymers

1977 • 13 citations

Calculation of volume effects in macromolecules by means of a Monte Carlo method: Non-self-intersecting chains on a cubic lattice

1967 • 12 citations

Monte Carlo renormalisation group for polymers

1980 • 12 citations

Study of Monte Carlo methods for generating self-avoiding walks

1983 • 12 citations

Self-Avoiding Walks of Continuous Spatial Dimensionality

1983 • 11 citations

Scaling power laws for semidilute polymer solutions. A Monte Carlo simulation in three dimensions

1985 • 10 citations

Moving Defects in Entangled Polymers

1983 • 10 citations

Reexamination of scaling relations of athermal multichain lattice systems by computer experiments

1983 • 10 citations

Structure of polymer solutions: scaling and modelling on an electronic computer

1983 • 9 citations

Improved computer simulation method for estimating the entropy of macromolecules with hard-core potential

1983 • 9 citations

Relationship of the unweighted Rosebluth and Rosenbluth walk to a polymer chain at the θ point

1986 • 8 citations

Statistical Thermodynamics of the Lattice Model of a Polymer Molecule

1964 • 8 citations

Self-avoiding lattice walks with high coordination and small excluded volume

1980 • 6 citations

Monte Carlo Study of a Self-Interacting Polymer Chain

1977 • 6 citations

Self-avoiding walks in four dimensions: Logarithmic corrections to scaling

1984 • 6 citations

Scaling analysis for the dynamics of highly entangled star polymers

1982 • 6 citations

Universal curves of the thermodynamic properties of multichain lattice systems via extrapolation of computer experiment data to the scaling limit

1985 • 5 citations

Monte Carlo renormalization group Calculations for polymers

1983 • 5 citations

Exact and Monte Carlo computations on a lattice model for change of conformation of a polymer

1982 • 5 citations

Dynamic Monte Carlo scaling method for polymers

1982 • 5 citations

Optimisation of the potential shifting in the Martinelli-Parisi expansion of the Z(2) gauge theory on a cubic lattice

1986 • 2 citations

Step-step correlations in restricted and self-avoiding random walks

1981 • 1 citations

Time‐dependent step–step correlations in a self‐avoiding random walk

1981 • 1 citations