Molecular dynamics study of response of liquid N,N-dimethylformamide to externally applied electric field using a polarizable force field

Weimin Gao; Haitao Niu; Tong Lin; Xungai Wang; Lingxue Kong

doi:10.1063/1.4861893

Molecular dynamics study of response of liquid N,N-dimethylformamide to externally applied electric field using a polarizable force field

The Journal of Chemical Physics ◽

10.1063/1.4861893 ◽

2014 ◽

Vol 140 (4) ◽

pp. 044501 ◽

Cited By ~ 8

Author(s):

Weimin Gao ◽

Haitao Niu ◽

Tong Lin ◽

Xungai Wang ◽

Lingxue Kong

Keyword(s):

Molecular Dynamics ◽

Electric Field ◽

Force Field ◽

Applied Electric Field ◽

Polarizable Force Field

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Molecular Dynamics Study of Hydration in Ethanol−Water Mixtures Using a Polarizable Force Field†

The Journal of Physical Chemistry B ◽

10.1021/jp045438q ◽

2005 ◽

Vol 109 (14) ◽

pp. 6705-6713 ◽

Cited By ~ 199

Author(s):

Sergei Yu. Noskov ◽

Guillaume Lamoureux ◽

Benoît Roux

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Polarizable Force Field

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Frequency-dependent local field factors in dielectric liquids by a polarizable force field and molecular dynamics simulations

10.1063/1.4938814 ◽

2015 ◽

Author(s):

Nazanin Davari ◽

Shokouh Haghdani ◽

Per-Olof Åstrand

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Local Field ◽

Frequency Dependent ◽

Polarizable Force Field ◽

Dielectric Liquids ◽

Dynamics Simulations

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Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks

Journal of Computational Chemistry ◽

10.1002/jcc.25339 ◽

2018 ◽

Vol 39 (21) ◽

pp. 1682-1689 ◽

Cited By ~ 34

Author(s):

Jing Huang ◽

Justin A. Lemkul ◽

Peter K. Eastman ◽

Alexander D. MacKerell

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Polarizable Force Field ◽

Dynamics Simulations

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UO22+ structure in solvent extraction phases resolved at molecular and supramolecular scales: a combined molecular dynamics, EXAFS and SWAXS approach

Physical Chemistry Chemical Physics ◽

10.1039/c8cp07230b ◽

2019 ◽

Vol 21 (15) ◽

pp. 7894-7906 ◽

Cited By ~ 6

Author(s):

Magali Duvail ◽

Thomas Dumas ◽

Amaury Paquet ◽

Amaury Coste ◽

Laurence Berthon ◽

...

Keyword(s):

Molecular Dynamics ◽

Solvent Extraction ◽

Force Field ◽

Polarizable Force Field

We developed a polarizable force field for unraveling the UO22+ structure in both aqueous and solvent extraction phases.

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Reactive Molecular Dynamics of the Initial Oxidation Stages of Ni(111) in Pure Water: Effect of an Applied Electric Field

The Journal of Physical Chemistry A ◽

10.1021/jp306932a ◽

2012 ◽

Vol 116 (48) ◽

pp. 11796-11805 ◽

Cited By ~ 45

Author(s):

O. Assowe ◽

O. Politano ◽

V. Vignal ◽

P. Arnoux ◽

B. Diawara ◽

...

Keyword(s):

Molecular Dynamics ◽

Electric Field ◽

Applied Electric Field ◽

Pure Water ◽

Water Effect ◽

Initial Oxidation ◽

Reactive Molecular Dynamics

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Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids

The Journal of Physical Chemistry B ◽

10.1021/jp905220k ◽

2009 ◽

Vol 113 (33) ◽

pp. 11463-11478 ◽

Cited By ~ 420

Author(s):

Oleg Borodin

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Polarizable Force Field ◽

Field Development ◽

Force Field Development ◽

Dynamics Simulations

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The performance of non-polarizable and polarizable force-field parameter sets for ethylene glycol in molecular dynamics simulations of the pure liquid and its aqueous mixtures

Molecular Physics ◽

10.1080/00268970701444631 ◽

2007 ◽

Vol 105 (13-14) ◽

pp. 1861-1881 ◽

Cited By ~ 44

Author(s):

D. P. Geerke ◽

W. F. van Gunsteren

Keyword(s):

Molecular Dynamics ◽

Ethylene Glycol ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Field Parameter ◽

Pure Liquid ◽

Aqueous Mixtures ◽

Polarizable Force Field ◽

Force Field Parameter ◽

Dynamics Simulations

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Solvent Reorganization Energies in A-DNA, B-DNA, and Rhodamine 6G−DNA Complexes from Molecular Dynamics Simulations with a Polarizable Force Field

The Journal of Physical Chemistry B ◽

10.1021/jp809774q ◽

2009 ◽

Vol 113 (13) ◽

pp. 4425-4434 ◽

Cited By ~ 17

Author(s):

Egor Vladimirov ◽

Anela Ivanova ◽

Notker Rösch

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Rhodamine 6G ◽

Dna Complexes ◽

Polarizable Force Field ◽

Reorganization Energies ◽

Dynamics Simulations

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Deconstruction of the human connexin 26 hemichannel due to an applied electric field; A molecular dynamics simulation study

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2017.02.006 ◽

2017 ◽

Vol 73 ◽

pp. 108-114 ◽

Cited By ~ 4

Author(s):

Hadi Alizadeh ◽

Jamal Davoodi ◽

Hashem Rafii-Tabar

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Electric Field ◽

Simulation Study ◽

Applied Electric Field ◽

Dynamics Simulation ◽

Connexin 26

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Polarizable Force Field for DNA Based on the Classical Drude Oscillator: II. Microsecond Molecular Dynamics Simulations of Duplex DNA

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.7b00068 ◽

2017 ◽

Vol 13 (5) ◽

pp. 2072-2085 ◽

Cited By ~ 33

Author(s):

Justin A. Lemkul ◽

Alexander D. MacKerell

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Duplex Dna ◽

Polarizable Force Field ◽

Dynamics Simulations

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