Toward Quantitative Coarse-Grained Models of Lipids with Fluids Density Functional Theory

2012 ◽  
Vol 8 (4) ◽  
pp. 1393-1408 ◽  
Author(s):  
Laura J. Douglas Frink ◽  
Amalie L. Frischknecht ◽  
Michael A. Heroux ◽  
Michael L. Parks ◽  
Andrew G. Salinger
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Coarse Grained ◽  
Functional Theory

scholarly journals Classical density functional theory & simulations on a coarse-grained model of aromatic ionic liquids

Soft Matter ◽  
2014 ◽  
Vol 10 (18) ◽  
pp. 3229 ◽  
Author(s):  
Martin Turesson ◽  
Ryan Szparaga ◽  
Ke Ma ◽  
Clifford E. Woodward ◽  
Jan Forsman
Keyword(s):  
Density Functional Theory ◽  
Ionic Liquids ◽  
Density Functional ◽  
Coarse Grained ◽  
Functional Theory ◽  
Coarse Grained Model

scholarly journals Structural transitions at electrodes, immersed in simple ionic liquid models

Soft Matter ◽  
2021 ◽  
Vol 17 (14) ◽  
pp. 3876-3885
Author(s):  
Hongduo Lu ◽  
Samuel Stenberg ◽  
Clifford E. Woodward ◽  
Jan Forsman
Keyword(s):  
Density Functional Theory ◽  
Ionic Liquid ◽  
Phase Transitions ◽  
Density Functional ◽  
Dft Method ◽  
Coarse Grained ◽  
Fluid Models ◽  
Structural Transitions ◽  
Functional Theory

We used a recently developed classical Density Functional Theory (DFT) method to study the structures, phase transitions, and electrochemical behaviours of two coarse-grained ionic fluid models, in the presence of a perfectly conducting model electrode.

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