dynamic density functional theory
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Dynamic Adsorption of Ions into Like-Charged Nanospace: A Dynamic Density Functional Theory Study

Langmuir ◽  
2019 ◽  
Vol 35 (12) ◽  
pp. 4254-4262 ◽  
Author(s):  
Leying Qing ◽  
Yu Li ◽  
Weiqiang Tang ◽  
Duo Zhang ◽  
Yongsheng Han ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Dynamic Adsorption ◽  
Density Functional Theory Study ◽  
Dynamic Density ◽  
Functional Theory ◽  
Dynamic Density Functional Theory

scholarly journals General framework for fluctuating dynamic density functional theory

2017 ◽  
Vol 19 (12) ◽  
pp. 123022 ◽  
Author(s):  
Miguel A Durán-Olivencia ◽  
Peter Yatsyshin ◽  
Benjamin D Goddard ◽  
Serafim Kalliadasis
Keyword(s):  
Density Functional Theory ◽  
General Framework ◽  
Density Functional ◽  
Dynamic Density ◽  
Functional Theory ◽  
Dynamic Density Functional Theory

scholarly journals Hybrid particle-continuum simulations coupling Brownian dynamics and local dynamic density functional theory

Soft Matter ◽  
2017 ◽  
Vol 13 (43) ◽  
pp. 7938-7947 ◽  
Author(s):  
Shuanhu Qi ◽  
Friederike Schmid
Keyword(s):  
Density Functional Theory ◽  
Brownian Dynamics ◽  
Density Functional ◽  
Implicit Solvent ◽  
Local Dynamic ◽  
Dynamic Density ◽  
Functional Theory ◽  
Hybrid Particle ◽  
Tuning Function ◽  
Dynamic Density Functional Theory

A hybrid particle-continuum representation of a polymer solution with implicit solvent, which is controlled by a predefined tuning function.

scholarly journals Dynamical properties of heterogeneous nucleation of parallel hard squares

Soft Matter ◽  
2017 ◽  
Vol 13 (48) ◽  
pp. 9246-9258 ◽  
Author(s):  
Miguel González-Pinto ◽  
Yuri Martínez-Ratón ◽  
Enrique Velasco
Keyword(s):  
Density Functional Theory ◽  
Heterogeneous Nucleation ◽  
Density Functional ◽  
Crystal Nucleation ◽  
Dynamic Density ◽  
Functional Theory ◽  
Hard Squares ◽  
Dynamical Properties ◽  
Dynamic Density Functional Theory

The dynamical relaxation of heterogeneous crystal nucleation in fluids of parallel hard squares confined in square cavities has been investigated using dynamic density functional theory.

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