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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 63, 1988 - Issue 4
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Original Articles

On optimization of Monte Carlo simulations

Jiří Kolafa Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, Suchdol, 16502, Prague, Czechoslovakia
Pages 559-579 | Received 20 Oct 1987, Accepted 11 Nov 1987, Published online: 26 Oct 2007

Citations (21)

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Read on this site (7)

Jiří Kolafa, HorstL. Vörtler, Karel Aim & Ivo Nezbeda. (1993) The Lennard-Jones Fluid Revisited: Computer Simulation Results. Molecular Simulation 11:5, pages 305-319.
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UlrichK. Deiters. (1991) The equation of state of soft repulsive spherical molecules. Molecular Physics 74:1, pages 153-160.
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Jiří Kolafa. (1991) Direct Sampling of Local Density Fluctuations in Monte Carlo Simulations. Molecular Simulation 6:1-3, pages 153-162.
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Jiří Kolafa. (1991) Convergence Properties of Monte Carlo Simulations on Fluids. Molecular Simulation 6:1-3, pages 89-101.
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Ivo Nezbeda & Jiří Kolafa. (1991) A New Version of the Insertion Particle Method for Determining the Chemical Potential by Monte Carlo Simulation. Molecular Simulation 5:6, pages 391-403.
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Paul Siders. (1989) Monte Carlo study of a monolayer of hard oblate spheroids. Molecular Physics 68:5, pages 1001-1013.
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HorstL. Vörtler, Jiři Kolafa & Ivo Nezbeda. (1989) Computer simulation studies of hard body fluid mixtures II. Molecular Physics 68:3, pages 547-561.
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Articles from other publishers (14)

Harold W. Hatch, Daniel W. Siderius, Jeffrey R. Errington & Vincent K. Shen. (2023) Efficiency Comparison of Single- and Multiple-Macrostate Grand Canonical Ensemble Transition-Matrix Monte Carlo Simulations. The Journal of Physical Chemistry B 127:13, pages 3041-3051.
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Harold W. Hatch. (2020) Parallel Prefetching for Canonical Ensemble Monte Carlo Simulations. The Journal of Physical Chemistry A 124:35, pages 7191-7198.
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Marcos R. Betancourt. (2011) Optimization of Monte Carlo trial moves for protein simulations. The Journal of Chemical Physics 134:1.
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Mary J. Bojan & William A. Steele. 2008. Adsorption by Carbons. Adsorption by Carbons 77 101 .
J Talbot, G Tarjus & P Viot. (2003) Optimum Monte Carlo simulations: some exact results. Journal of Physics A: Mathematical and General 36:34, pages 9009-9023.
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Mihaly Mezei. 2002. Computational Methods for Macromolecules: Challenges and Applications. Computational Methods for Macromolecules: Challenges and Applications 177 196 .
Mark A. Miller, Lynn M. Amon & William P. Reinhardt. (2000) Should one adjust the maximum step size in a Metropolis Monte Carlo simulation?. Chemical Physics Letters 331:2-4, pages 278-284.
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Yu. V. Kalyuzhnyi, G. Stell, M. L. Llano-Restrepo, W. G. Chapman & M. F. Holovko. (1994) Primitive models of chemical association. I. Theory and simulation for dimerization. The Journal of Chemical Physics 101:9, pages 7939-7952.
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Raymond D. Mountain & D. Thirumalai. (1994) Quantative measure of efficiency of Monte Carlo simulations. Physica A: Statistical Mechanics and its Applications 210:3-4, pages 453-460.
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Bruce B. Lowekamp & John C. Schug. (1993) An efficient algorithm for nucleation studies of particles using the octree data structure. Computer Physics Communications 76:3, pages 281-293.
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Dominique Levesque & Jean Jacques Weis. 1995. The Monte Carlo Method in Condensed Matter Physics. The Monte Carlo Method in Condensed Matter Physics 121 204 .
B. Cichocki & K. Hinsen. (1990) Dynamic computer simulation of concentrated hard sphere suspensions. Physica A: Statistical Mechanics and its Applications 166:3, pages 473-491.
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Pietro Amodeo, Vincenzo Barone & Franca Fraternali. (1990) A microscopic approach to the structure and thermodynamic properties of peptides and proteins. Thermochimica Acta 162:1, pages 141-154.
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M.P. Allen, D. Frenkel & J. Talbot. (1989) Molecular dynamics simulation using hard particles. Computer Physics Reports 9:6, pages 301-353.
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