Molecular dynamics and Monte Carlo simulations in the grand canonical ensemble: Local versus global control

Aphrodite Papadopoulou; Ezra D. Becker; Mark Lupkowski; Frank van Swol

doi:10.1063/1.464945

Molecular dynamics and Monte Carlo simulations in the grand canonical ensemble: Local versus global control

The Journal of Chemical Physics ◽

10.1063/1.464945 ◽

1993 ◽

Vol 98 (6) ◽

pp. 4897-4908 ◽

Cited By ~ 63

Author(s):

Aphrodite Papadopoulou ◽

Ezra D. Becker ◽

Mark Lupkowski ◽

Frank van Swol

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Monte Carlo Simulations ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Global Control ◽

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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Canonical and grand canonical ensemble expectation values from quantum Monte Carlo simulations

Physical Review B ◽

10.1103/physrevb.68.045120 ◽

2003 ◽

Vol 68 (4) ◽

Cited By ~ 2

Author(s):

R. D. Sedgewick ◽

D. J. Scalapino ◽

R. L. Sugar ◽

L. Capriotti

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Quantum Monte Carlo ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Expectation Values ◽

Quantum Monte Carlo Simulations ◽

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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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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Fermion sign problem in path integral Monte Carlo simulations: Grand-canonical ensemble

Journal of Physics A Mathematical and Theoretical ◽

10.1088/1751-8121/ac1481 ◽

2021 ◽

Author(s):

Tobias Dornheim

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Path Integral ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Path Integral Monte Carlo ◽

Sign Problem ◽

Grand Canonical

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Acceleration of Monte Carlo simulations through spatial updating in the grand canonical ensemble

The Journal of Chemical Physics ◽

10.1063/1.2759923 ◽

2007 ◽

Vol 127 (8) ◽

pp. 084106 ◽

Cited By ~ 8

Author(s):

G. Orkoulas

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Spatial Updating ◽

Grand Canonical

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Phase behavior of the restricted primitive model and square-well fluids from Monte Carlo simulations in the grand canonical ensemble

The Journal of Chemical Physics ◽

10.1063/1.477798 ◽

1999 ◽

Vol 110 (3) ◽

pp. 1581-1590 ◽

Cited By ~ 199

Author(s):

Gerassimos Orkoulas ◽

Athanassios Z. Panagiotopoulos

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Phase Behavior ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Primitive Model ◽

Restricted Primitive Model ◽

Square Well ◽

Grand Canonical

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