Free-energy calculation for rotating systems using the Monte Carlo method

Chemical Physics Letters ◽

10.1016/s0009-2614(98)00609-5 ◽

1998 ◽

Vol 291 (3-4) ◽

pp. 393-400 ◽

Author(s):

F. Calvo

Keyword(s):

Monte Carlo ◽

Free Energy ◽

Monte Carlo Method ◽

Free Energy Calculation ◽

Energy Calculation ◽

Rotating Systems ◽

The Monte Carlo Method

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Monte Carlo Simulation of Electrodeposition of Copper: A Multistep Free Energy Calculation

The Journal of Physical Chemistry B ◽

10.1021/jp076191a ◽

2008 ◽

Vol 112 (13) ◽

pp. 4036-4047 ◽

Author(s):

S. Harinipriya ◽

Venkat R. Subramanian

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Free Energy Calculation ◽

Energy Calculation

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Monte Carlo Simulation of Electrodeposition of Copper- Free Energy Calculation

ECS Meeting Abstracts ◽

10.1149/ma2007-02/31/1451 ◽

2007 ◽

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Free Energy Calculation ◽

Energy Calculation

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Calculation of free energy changes in ion–water clusters using nonadditive potentials and the Monte Carlo method

The Journal of Chemical Physics ◽

10.1063/1.452428 ◽

1987 ◽

Vol 86 (11) ◽

pp. 6393-6403 ◽

Author(s):

Piotr Cieplak ◽

Terry P. Lybrand ◽

Peter A. Kollman

Keyword(s):

Monte Carlo ◽

Free Energy ◽

Monte Carlo Method ◽

Water Clusters ◽

The Monte Carlo Method

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Calculation of the free energy and a model for vacancy creation in ar crystals using the Monte-Carlo method

Ferroelectrics ◽

10.1080/00150199608218037 ◽

1996 ◽

Vol 186 (1) ◽

pp. 77-80

Author(s):

Stanisĺw Kałz

Keyword(s):

Monte Carlo ◽

Free Energy ◽

Monte Carlo Method ◽

The Monte Carlo Method

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Comment on: ‘‘Water–water and water–ion potential functions including terms for many‐body effects,’’ T. P. Lybrand and P. Kollman, J. Chem. Phys. 83, 2923 (1985), and on ‘‘Calculation of free energy changes in ion–water clusters using nonadditive potentials and the Monte Carlo method,’’ P. Cieplak, T. P. Lybrand, and P. Kollman, J. Chem. Phys. 86, 6393 (1987)

The Journal of Chemical Physics ◽

10.1063/1.454262 ◽

1988 ◽

Vol 88 (12) ◽

pp. 8016-8017 ◽

Author(s):

Bruce J. Berne ◽

Anders Wallqvist

Keyword(s):

Monte Carlo ◽

Free Energy ◽

Monte Carlo Method ◽

Water Clusters ◽

Chem Phys ◽

Potential Functions ◽

Many Body ◽

The Monte Carlo Method ◽

Many Body Effects

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Free energy of low temperature antiphase structures in a FCC nearest-neighbour antiferromagnetic Ising model by the Monte Carlo method

Journal de Physique ◽

10.1051/jphys:0198900500190298300 ◽

1989 ◽

Vol 50 (19) ◽

pp. 2983-2990 ◽

Author(s):

F. Livet

Keyword(s):

Monte Carlo ◽

Free Energy ◽

Monte Carlo Method ◽

Ising Model ◽

Low Temperature ◽

Nearest Neighbour ◽

The Monte Carlo Method ◽

Antiferromagnetic Ising Model

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Calculation of the dependence of the conformational free energy of polyethylene chains on the degree of stretching, molar mass and temperature by the Monte-Carlo method

Polymer Science U S S R ◽

10.1016/0032-3950(89)90424-3 ◽

1989 ◽

Vol 31 (9) ◽

pp. 2042-2049 ◽

Author(s):

S.Ye. Varyukhin ◽

M.G. Zaitsev

Keyword(s):

Monte Carlo ◽

Free Energy ◽

Monte Carlo Method ◽

The Monte Carlo Method ◽

Conformational Free Energy

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Free energy calculation of a soft sphere solid using an adaptive, importance sampling Monte Carlo algorithm

Journal of Computational Chemistry ◽

10.1002/jcc.540110409 ◽

1990 ◽

Vol 11 (4) ◽

pp. 511-517 ◽

Author(s):

Robert Kulver

Keyword(s):

Monte Carlo ◽

Free Energy ◽

Importance Sampling ◽

Monte Carlo Algorithm ◽

Free Energy Calculation ◽

Energy Calculation ◽

Adaptive Importance Sampling ◽

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Polyelectrolyte Adsorption on a Charged Surface. Free Energy Calculation from Monte Carlo Simulations Using Jarzynski Equality

Macromolecules ◽

10.1021/ma800325e ◽

2008 ◽

Vol 41 (21) ◽

pp. 8267-8274 ◽

Author(s):

Claudio F. Narambuena ◽

Dante M. Beltramo ◽

Ezequiel P. M. Leiva

Keyword(s):

Monte Carlo ◽

Free Energy ◽

Monte Carlo Simulations ◽

Surface Free Energy ◽

Free Energy Calculation ◽

Energy Calculation ◽

Charged Surface ◽

Polyelectrolyte Adsorption ◽

Jarzynski Equality

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On the free energy of crystal surfaces. I. The configurational free energy of low-index surfaces by the Monte Carlo method

Journal of Physics C Solid State Physics ◽

10.1088/0022-3719/6/24/017 ◽

1973 ◽

Vol 6 (24) ◽

pp. 3571-3584 ◽

Author(s):

R A Hunt ◽

B Gale

Keyword(s):

Monte Carlo ◽

Free Energy ◽

Monte Carlo Method ◽

Crystal Surfaces ◽

The Monte Carlo Method

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