Self-Assembly of Allomelanin Dimers and the Impact of Poly(ethylene glycol) on the Assembly: A Molecular Dynamics Simulation Study

2020 ◽  
Vol 124 (13) ◽  
pp. 2702-2714 ◽  
Author(s):  
Utkarsh Kapoor ◽  
Arthi Jayaraman
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ethylene Glycol ◽  
Simulation Study ◽  
Self Assembly ◽  
Dynamics Simulation ◽  
Poly Ethylene Glycol ◽  
Poly Ethylene ◽  
The Impact

Self-Assembly of Poly(4-methylstyrene)-g-poly(methacrylic acid) Graft Copolymer in Selective Solvents for Grafts: Scattering and Molecular Dynamics Simulation Study

Langmuir ◽  
2010 ◽  
Vol 26 (12) ◽  
pp. 9289-9296 ◽  
Author(s):  
Miroslav Štěpánek ◽  
Peter Košovan ◽  
Karel Procházka ◽  
Miroslav Janata ◽  
Miloš Netopilík ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Graft Copolymer ◽  
Simulation Study ◽  
Methacrylic Acid ◽  
Self Assembly ◽  
Dynamics Simulation ◽  
Selective Solvents

Investigating limiting factors for self-assembly of carbon nanotubes: A molecular dynamics simulation study

2020 ◽  
Vol 504 ◽  
pp. 144397 ◽  
Author(s):  
Jianwei Zhang ◽  
Jianlei Cui ◽  
Fengqi Wei ◽  
Wenjun Wang ◽  
Xiaoqiao He ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Self Assembly ◽  
Dynamics Simulation ◽  
Limiting Factors

Self-assembly of donor–acceptor semiconducting polymers in solution thin films: a molecular dynamics simulation study

2017 ◽  
Vol 5 (37) ◽  
pp. 9602-9610 ◽  
Author(s):  
Makoto Yoneya ◽  
Satoshi Matsuoka ◽  
Jun’ya Tsutsumi ◽  
Tatsuo Hasegawa
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Self Assembly ◽  
Semiconducting Polymers ◽  
Dynamics Simulation ◽  
Polymer Thin Film ◽  
Donor Acceptor

The direction of π-stacking in a polymer thin film is crucially important in applications of semiconducting polymers.

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