Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. I. Homogeneous fluids

Ahmadreza F. Ghobadi; J. Richard Elliott

doi:10.1063/1.4838457

Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. I. Homogeneous fluids

The Journal of Chemical Physics ◽

10.1063/1.4838457 ◽

2013 ◽

Vol 139 (23) ◽

pp. 234104 ◽

Cited By ~ 23

Author(s):

Ahmadreza F. Ghobadi ◽

J. Richard Elliott

Keyword(s):

Molecular Dynamics ◽

Perturbation Theory ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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Intermolecular Forces and Molecular Dynamics Simulation of 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) Using Symmetry Adapted Perturbation Theory

The Journal of Physical Chemistry A ◽

10.1021/jp4005289 ◽

2013 ◽

Vol 117 (16) ◽

pp. 3507-3520 ◽

Cited By ~ 19

Author(s):

DeCarlos E. Taylor

Keyword(s):

Molecular Dynamics ◽

Perturbation Theory ◽

Molecular Dynamics Simulation ◽

Intermolecular Forces ◽

Dynamics Simulation

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Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. II. Confined fluids and vapor-liquid interfaces

The Journal of Chemical Physics ◽

10.1063/1.4886398 ◽

2014 ◽

Vol 141 (2) ◽

pp. 024708 ◽

Cited By ~ 9

Author(s):

Ahmadreza F. Ghobadi ◽

J. Richard Elliott

Keyword(s):

Molecular Dynamics ◽

Perturbation Theory ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Liquid Interfaces ◽

Confined Fluids ◽

Vapor Liquid

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The Effect of Codon 31 on the Relative Affinities for the Binding of Designed 8-Alkyl-Pterins to Dihydrofolate Reductase: A Statistical Perturbation Theory and Molecular Dynamics Simulation Study

Advances in Experimental Medicine and Biology - Chemistry and Biology of Pteridines and Folates ◽

10.1007/978-1-4615-2960-6_103 ◽

1993 ◽

pp. 511-514

Author(s):

Peter L. Cummins ◽

Jill E. Gready

Keyword(s):

Molecular Dynamics ◽

Perturbation Theory ◽

Molecular Dynamics Simulation ◽

Dihydrofolate Reductase ◽

Simulation Study ◽

Dynamics Simulation ◽

Statistical Perturbation

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Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. III. Molecules with partial charges at bulk phases, confined geometries and interfaces

The Journal of Chemical Physics ◽

10.1063/1.4893966 ◽

2014 ◽

Vol 141 (9) ◽

pp. 094708 ◽

Cited By ~ 3

Author(s):

Ahmadreza F. Ghobadi ◽

J. Richard Elliott

Keyword(s):

Molecular Dynamics ◽

Perturbation Theory ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Confined Geometries ◽

Partial Charges

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Fluid–fluid coexistence in an athermal colloid–polymer mixture: thermodynamic perturbation theory and continuum molecular-dynamics simulation

Molecular Physics ◽

10.1080/00268976.2015.1047425 ◽

2015 ◽

Vol 113 (17-18) ◽

pp. 2608-2628 ◽

Cited By ~ 9

Author(s):

Julio Jover ◽

Amparo Galindo ◽

George Jackson ◽

Erich A. Müller ◽

Andrew J. Haslam

Keyword(s):

Molecular Dynamics ◽

Perturbation Theory ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Polymer Mixture ◽

Thermodynamic Perturbation Theory ◽

Thermodynamic Perturbation

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Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

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Molecular dynamics simulation of the dynamics of supercooled silica

Philosophical Magazine B ◽

10.1080/014186398259374 ◽

1998 ◽

Vol 77 (2) ◽

pp. 297-303 ◽

Cited By ~ 24

Author(s):

J. Horbach, W. Kob, K. Binder

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

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Nonequilibrium effects in electron-ion strongly coupled plasmas. Molecular dynamics simulation

Journal de Physique IV (Proceedings) ◽

10.1051/jp4:2000545 ◽

2000 ◽

Vol 10 (PR5) ◽

pp. Pr5-255-Pr5-258 ◽

Cited By ~ 5

Author(s):

G. E. Norman ◽

A. A. Valuev ◽

I. A. Valuev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Strongly Coupled ◽

Strongly Coupled Plasmas ◽

Nonequilibrium Effects ◽

Coupled Plasmas

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A molecular dynamics simulation for an ODIC phase. - III. Analysis of the correlation functions

Journal de Physique ◽

10.1051/jphys:01987004805082100 ◽

1987 ◽

Vol 48 (5) ◽

pp. 821-835 ◽

Cited By ~ 6

Author(s):

Ph. Buchet ◽

R.M. Pick

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Correlation Functions ◽

Dynamics Simulation ◽

Phase Iii

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