Colloids in Brushes: The Insertion Free Energy via Monte Carlo Simulation with Umbrella Sampling

Macromolecules ◽

10.1021/ma9027273 ◽

2010 ◽

Vol 43 (7) ◽

pp. 3511-3520 ◽

Author(s):

V. Ermilov ◽

A. Lazutin ◽

A. Halperin

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Umbrella Sampling

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Multiple Free Energy Calculations from Single State Point Continuous Fractional Component Monte Carlo Simulation Using Umbrella Sampling

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b01097 ◽

2020 ◽

Vol 16 (3) ◽

pp. 1757-1767 ◽

Author(s):

Ahmadreza Rahbari ◽

Remco Hens ◽

Othonas A. Moultos ◽

David Dubbeldam ◽

Thijs J. H. Vlugt

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Umbrella Sampling ◽

Free Energy Calculations ◽

Energy Calculations ◽

State Point ◽

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Extending fragment-based free energy calculations with library monte carlo simulation: Annealing in interaction space

Journal of Computational Chemistry ◽

10.1002/jcc.21695 ◽

2010 ◽

Vol 32 (6) ◽

pp. 1135-1143 ◽

Author(s):

Steven Lettieri ◽

Artem B. Mamonov ◽

Daniel M. Zuckerman

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Interaction Space ◽

Free Energy Calculations ◽

Energy Calculations

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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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Nucleation free-energy barriers with Hybrid Monte-Carlo/Umbrella Sampling

Physical Chemistry Chemical Physics ◽

10.1039/c4cp02817a ◽

2014 ◽

Vol 16 (45) ◽

pp. 24913-24919 ◽

Author(s):

M. A. Gonzalez ◽

E. Sanz ◽

C. McBride ◽

J. L. F. Abascal ◽

C. Vega ◽

...

Keyword(s):

Monte Carlo ◽

Free Energy ◽

Umbrella Sampling ◽

Energy Barriers ◽

Hybrid Monte Carlo

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Calculation of excess free energy from the averaged effective acceptance ratio in Monte Carlo simulation for argon, nitrogen and water

Chemical Physics Letters ◽

10.1016/0009-2614(92)90026-j ◽

1992 ◽

Vol 188 (3-4) ◽

pp. 299-302 ◽

Author(s):

Seung Do Hong ◽

Byoung Jip Yoon ◽

Mu Shik Jhon

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Excess Free Energy ◽

Acceptance Ratio

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Monte Carlo simulation of the diabatic free energy curves for a dissociative electron transfer reaction in a polar solvent

Journal of Computational Chemistry ◽

10.1002/jcc.540130904 ◽

1992 ◽

Vol 13 (9) ◽

pp. 1057-1065 ◽

Author(s):

Victor Pérez ◽

José M. Lluch ◽

Juan Bertrán

Keyword(s):

Monte Carlo Simulation ◽

Electron Transfer ◽

Monte Carlo ◽

Free Energy ◽

Transfer Reaction ◽

Polar Solvent ◽

Electron Transfer Reaction ◽

Dissociative Electron Transfer

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Free energy and entropy for inserting cavities in water: Comparison of Monte Carlo simulation and scaled particle theory results

The Journal of Chemical Physics ◽

10.1063/1.474296 ◽

1997 ◽

Vol 107 (16) ◽

pp. 6353-6365 ◽

Author(s):

F. M. Floris ◽

M. Selmi ◽

A. Tani ◽

J. Tomasi

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Scaled Particle Theory ◽

Particle Theory

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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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Monte Carlo simulation of the hard‐sphere fluid with quantum correction and estimate of its free energy

The Journal of Chemical Physics ◽

10.1063/1.453841 ◽

1988 ◽

Vol 88 (6) ◽

pp. 3923-3933 ◽

Author(s):

Byoung‐Jip Yoon ◽

Harold A. Scheraga

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Hard Sphere ◽

Quantum Correction ◽

Hard Sphere Fluid

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Grand Potential, Helmholtz Free Energy, and Entropy Calculation in Heterogeneous Cylindrical Pores by the Grand Canonical Monte Carlo Simulation Method

The Journal of Physical Chemistry B ◽

10.1021/jp0474834 ◽

2005 ◽

Vol 109 (1) ◽

pp. 480-487 ◽

Author(s):

Joël Puibasset

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Helmholtz Free Energy ◽

Simulation Method ◽

Monte Carlo Simulation Method ◽

Grand Canonical Monte Carlo ◽

Grand Potential ◽

Cylindrical Pores ◽

Grand Canonical

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