Bidirectional mapping between self-consistent field theory and molecular dynamics: Application to immiscible homopolymer blends

Thomas D. Sewell; Kim Ø. Rasmussen; Dmitry Bedrov; Grant D. Smith; Russell B. Thompson

doi:10.1063/1.2776261

Bidirectional mapping between self-consistent field theory and molecular dynamics: Application to immiscible homopolymer blends

The Journal of Chemical Physics ◽

10.1063/1.2776261 ◽

2007 ◽

Vol 127 (14) ◽

pp. 144901 ◽

Cited By ~ 6

Author(s):

Thomas D. Sewell ◽

Kim Ø. Rasmussen ◽

Dmitry Bedrov ◽

Grant D. Smith ◽

Russell B. Thompson

Keyword(s):

Field Theory ◽

Molecular Dynamics ◽

Consistent Field ◽

Homopolymer Blends ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory ◽

Bidirectional Mapping

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Bicontinuous Phases in Diblock Copolymer/Homopolymer Blends: Simulation and Self-Consistent Field Theory

Macromolecules ◽

10.1021/ma802427a ◽

2009 ◽

Vol 42 (5) ◽

pp. 1775-1784 ◽

Cited By ~ 35

Author(s):

Francisco J. Martínez-Veracoechea ◽

Fernando A. Escobedo

Keyword(s):

Field Theory ◽

Diblock Copolymer ◽

Consistent Field ◽

Homopolymer Blends ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory ◽

Bicontinuous Phases

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The Plumber’s Nightmare Phase in Diblock Copolymer/Homopolymer Blends. A Self-Consistent Field Theory Study.

Macromolecules ◽

10.1021/ma901591r ◽

2009 ◽

Vol 42 (22) ◽

pp. 9058-9062 ◽

Cited By ~ 24

Author(s):

Francisco J. Martinez-Veracoechea ◽

Fernando A. Escobedo

Keyword(s):

Field Theory ◽

Diblock Copolymer ◽

Consistent Field ◽

Homopolymer Blends ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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Self-consistent field theory based molecular dynamics with linear system-size scaling

The Journal of Chemical Physics ◽

10.1063/1.4869865 ◽

2014 ◽

Vol 140 (13) ◽

pp. 134109 ◽

Cited By ~ 14

Author(s):

Dorothee Richters ◽

Thomas D. Kühne

Keyword(s):

Field Theory ◽

Molecular Dynamics ◽

Linear System ◽

System Size ◽

Size Scaling ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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Micelle Formation in Block Copolymer/Homopolymer Blends: Comparison of Self-Consistent Field Theory with Experiment and Scaling Theory

Macromolecules ◽

10.1021/ma9000594 ◽

2009 ◽

Vol 42 (15) ◽

pp. 5873-5880 ◽

Cited By ~ 11

Author(s):

Martin J. Greenall ◽

D. Martin A. Buzza ◽

Thomas C. B. McLeish

Keyword(s):

Field Theory ◽

Block Copolymer ◽

Micelle Formation ◽

Scaling Theory ◽

Consistent Field ◽

Homopolymer Blends ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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Unique Phase Behavior of Inverse Tapered Block Copolymers: Self-Consistent Field Theory and Molecular Dynamics Simulations

Macromolecules ◽

10.1021/acs.macromol.7b00522 ◽

2017 ◽

Vol 50 (14) ◽

pp. 5619-5626 ◽

Cited By ~ 6

Author(s):

Jonathan R. Brown ◽

Youngmi Seo ◽

Scott W. Sides ◽

Lisa M. Hall

Keyword(s):

Field Theory ◽

Molecular Dynamics ◽

Block Copolymers ◽

Molecular Dynamics Simulations ◽

Phase Behavior ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory ◽

Dynamics Simulations

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Linear-scaling self-consistent field theory based molecular dynamics: application to C60buckyballs colliding with graphite

Molecular Simulation ◽

10.1080/08927022.2018.1511899 ◽

2018 ◽

Vol 44 (17) ◽

pp. 1380-1386 ◽

Cited By ~ 3

Author(s):

Dorothee Richters ◽

Thomas D. Kühne

Keyword(s):

Field Theory ◽

Molecular Dynamics ◽

Linear Scaling ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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Determining the Potential of Mean Force for Amyloid-β Dimerization: Combining Self-Consistent Field Theory with Molecular Dynamics Simulation

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.7b01057 ◽

2018 ◽

Vol 14 (5) ◽

pp. 2696-2704 ◽

Cited By ~ 5

Author(s):

Nicholas P. van der Munnik ◽

Md Symon Jahan Sajib ◽

Melissa A. Moss ◽

Tao Wei ◽

Mark J. Uline

Keyword(s):

Field Theory ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Amyloid Β ◽

Potential Of Mean Force ◽

Dynamics Simulation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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Phase Behavior of Rod–Coil Diblock Copolymer and Homopolymer Blends from Self-Consistent Field Theory

The Journal of Physical Chemistry B ◽

10.1021/jp201972n ◽

2011 ◽

Vol 115 (26) ◽

pp. 8390-8400 ◽

Cited By ~ 25

Author(s):

Wendi Song ◽

Ping Tang ◽

Feng Qiu ◽

Yuliang Yang ◽

An-Chang Shi

Keyword(s):

Field Theory ◽

Phase Behavior ◽

Diblock Copolymer ◽

Consistent Field ◽

Homopolymer Blends ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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Micelle shape transitions in block copolymer/homopolymer blends: Comparison of self-consistent field theory with experiment

The Journal of Chemical Physics ◽

10.1063/1.3170938 ◽

2009 ◽

Vol 131 (3) ◽

pp. 034904 ◽

Cited By ~ 11

Author(s):

M. J. Greenall ◽

D. M. A. Buzza ◽

T. C. B. McLeish

Keyword(s):

Field Theory ◽

Block Copolymer ◽

Consistent Field ◽

Homopolymer Blends ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory ◽

Shape Transitions

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Modeling the Adsorption of Rheology Modifiers onto Latex Particles Using Coarse-Grained Molecular Dynamics (CG-MD) and Self-Consistent Field Theory (SCFT)

Macromolecules ◽

10.1021/acs.macromol.5b02080 ◽

2015 ◽

Vol 48 (21) ◽

pp. 8045-8054 ◽

Cited By ~ 10

Author(s):

Valeriy V. Ginzburg ◽

Antony Keith Van Dyk ◽

Tirtha Chatterjee ◽

Alan Isamu Nakatani ◽

Shihu Wang ◽

...

Keyword(s):

Field Theory ◽

Molecular Dynamics ◽

Coarse Grained ◽

Latex Particles ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory ◽

Coarse Grained Molecular Dynamics

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