Automatic Control of Solvent Density in Grand Canonical Ensemble Monte Carlo Simulations

Joshua A. Speidel; Jason R. Banfelder; Mihaly Mezei

doi:10.1021/ct0600363

Automatic Control of Solvent Density in Grand Canonical Ensemble Monte Carlo Simulations

Journal of Chemical Theory and Computation ◽

10.1021/ct0600363 ◽

2006 ◽

Vol 2 (5) ◽

pp. 1429-1434 ◽

Cited By ~ 8

Author(s):

Joshua A. Speidel ◽

Jason R. Banfelder ◽

Mihaly Mezei

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Automatic Control ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Ensemble Monte Carlo ◽

Solvent Density ◽

Grand Canonical

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Grand Canonical Ensemble Monte Carlo Simulations of Donnan Potentials, Nonelectroneutrality, Activity Coefficients and Excess Energy in Spherical Charged or Uncharged Pores with Restricted Primitive Model Electrolytes

Molecular Simulation ◽

10.1080/08927029408021978 ◽

1994 ◽

Vol 13 (2) ◽

pp. 115-160 ◽

Cited By ~ 14

Author(s):

Sergio Roberto Rivera ◽

Torben Smith S⊘srensen

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Activity Coefficients ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Excess Energy ◽

Primitive Model ◽

Ensemble Monte Carlo ◽

Restricted Primitive Model ◽

Grand Canonical

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Grand canonical ensemble Monte Carlo simulations of adsorption in energetically heterogeneous slit-like pores

Thin Solid Films ◽

10.1016/0040-6090(94)90768-4 ◽

1994 ◽

Vol 249 (2) ◽

pp. 236-240 ◽

Cited By ~ 8

Author(s):

K Karykowski ◽

W Rżysko ◽

A Patrykiejew ◽

S Sokołowski

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Ensemble Monte Carlo ◽

Grand Canonical

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Grand Canonical Ensemble Monte Carlo Simulations of Ion Distribution Functions and of the Electric Double Layer in Spherical Charged or Uncharged Pores with Restricted Primitive Model 1:1 Electrolytes at Moderate Concentrations

Molecular Simulation ◽

10.1080/08927029408022006 ◽

1994 ◽

Vol 14 (1) ◽

pp. 35-66 ◽

Cited By ~ 3

Author(s):

Sergio Roberto Rivera ◽

Torben Smith S⊘rensen

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Electric Double Layer ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Distribution Functions ◽

Ion Distribution ◽

Ensemble Monte Carlo ◽

Restricted Primitive Model ◽

Grand Canonical

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Spatially adaptive grand canonical ensemble Monte Carlo simulations

Physical Review E ◽

10.1103/physreve.71.026702 ◽

2005 ◽

Vol 71 (2) ◽

Cited By ~ 10

Author(s):

A. Chatterjee ◽

M. A. Katsoulakis ◽

D. G. Vlachos

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Ensemble Monte Carlo ◽

Spatially Adaptive ◽

Grand Canonical

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Grand canonical ensemble Monte Carlo simulations of confined `nematic' Gay–Berne films

Thin Solid Films ◽

10.1016/s0040-6090(98)00799-8 ◽

1998 ◽

Vol 330 (1) ◽

pp. 46-58 ◽

Cited By ~ 7

Author(s):

Thomas Gruhn ◽

Martin Schoen

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Ensemble Monte Carlo ◽

Grand Canonical

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A grand canonical ensemble Monte Carlo study of confined planar and homeotropically anchored Gay—Berne films

Molecular Physics ◽

10.1080/00268979809482254 ◽

1998 ◽

Vol 93 (4) ◽

pp. 681-692

Author(s):

THOMAS GRUHN ◽

MARTIN SCHOEN

Keyword(s):

Monte Carlo ◽

Canonical Ensemble ◽

Monte Carlo Study ◽

Grand Canonical Ensemble ◽

Ensemble Monte Carlo ◽

Grand Canonical

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Development of Pressure Controlled Grand Canonical Ensemble Monte Carlo for Efficient Estimation of Solubility in Polymer

KAGAKU KOGAKU RONBUNSHU ◽

10.1252/kakoronbunshu.32.31 ◽

2006 ◽

Vol 32 (1) ◽

pp. 31-38

Author(s):

Hiromitsu Takaba ◽

Hideki Hayashi ◽

Shin-ichi Nakao

Keyword(s):

Monte Carlo ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Efficient Estimation ◽

Ensemble Monte Carlo ◽

Grand Canonical ◽

Pressure Controlled

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The grand canonical ensemble Monte Carlo method applied to electrolyte solutions

Molecular Physics ◽

10.1080/00268978000100891 ◽

1980 ◽

Vol 39 (5) ◽

pp. 1043-1054 ◽

Cited By ~ 33

Author(s):

W. van Megen ◽

I.K. Snook

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Canonical Ensemble ◽

Electrolyte Solutions ◽

Grand Canonical Ensemble ◽

Ensemble Monte Carlo ◽

Grand Canonical

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Taylor-Expansion Monte Carlo Simulations of Classical Fluids in the Canonical and Grand Canonical Ensemble

Journal of Computational Physics ◽

10.1006/jcph.1995.1087 ◽

1995 ◽

Vol 118 (1) ◽

pp. 159-171 ◽

Cited By ~ 9

Author(s):

Martin Schoen

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Taylor Expansion ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Classical Fluids ◽

Grand Canonical

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The grand canonical ensemble Monte Carlo method applied to the electrical double layer

The Journal of Chemical Physics ◽

10.1063/1.440657 ◽

1980 ◽

Vol 73 (9) ◽

pp. 4656-4662 ◽

Cited By ~ 86

Author(s):

William van Megen ◽

Ian Snook

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Double Layer ◽

Electrical Double Layer ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Ensemble Monte Carlo ◽

Grand Canonical

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