Ionomer Self-Assembly during Drying Process of Alcohol/Water Solutions Using Coarse-Grained Molecular Dynamics Simulations

2019 ◽  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
Coarse Grained ◽  
Drying Process ◽  
Water Solutions ◽  
Alcohol Water ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

Self-assembly of amphiphilic polymers of varying architectures near attractive surfaces

Soft Matter ◽  
2020 ◽  
Vol 16 (3) ◽  
pp. 623-633 ◽  
Author(s):  
Michiel G. Wessels ◽  
Arthi Jayaraman
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
Amphiphilic Polymers ◽  
Coarse Grained ◽  
Polymer Architecture ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

We use coarse-grained molecular dynamics simulations to investigate the assembly of A–B amphiphilic polymers near/on surfaces as a function of polymer architecture and surface attraction to the solvophobic B-block in the polymer.

scholarly journals Coarse-Grained Molecular Dynamics Simulations of the Self-Assembly of Amphiphilic Dendrimers as Gene Carriers

2015 ◽  
Vol 108 (2) ◽  
pp. 172a
Author(s):  
Valeria Marquez-Miranda ◽  
Iingrid Araya ◽  
Maria Belen Camarada ◽  
Lars Ratjen ◽  
Maria Carolina Otero ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
The Self ◽  
Coarse Grained ◽  
Gene Carriers ◽  
Amphiphilic Dendrimers ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

Block-copolymer-like self-assembly behavior of mobile-ligand grafted ultra-small nanoparticles

Soft Matter ◽  
2021 ◽  
Author(s):  
Feng-Rui Xu ◽  
Rui Shi ◽  
XiangMeng Jia ◽  
Shengchao Chai ◽  
Haolong Li ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Block Copolymer ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
The Self ◽  
Coarse Grained ◽  
Assembly Behavior ◽  
Dynamics Simulations ◽  
Small Nanoparticles ◽  
Coarse Grained Molecular Dynamics

We use coarse-grained molecular dynamics simulations to study the self-assembly behavior of polyoxometalate (POM) nanoparticles (NPs) decorated with mobile polymer ligands in a melt condition. We demonstrate that due to...

Self-assembly and structural manipulation of diblock-copolymer grafted nanoparticles in a homopolymer matrix

2019 ◽  
Vol 21 (22) ◽  
pp. 11785-11796 ◽  
Author(s):  
Sai Li ◽  
Zhiyu Zhang ◽  
Guanyi Hou ◽  
Jun Liu ◽  
Yangyang Gao ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Diblock Copolymer ◽  
Self Assembly ◽  
Coarse Grained ◽  
Grafted Nanoparticles ◽  
Structural Manipulation ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

Detailed coarse-grained molecular dynamics simulations are performed to investigate the structural and mechanical properties of nanoparticles (NPs) grafted with an amphiphilic AB diblock copolymer, with the A-block being compatible with NPs and the B-block being miscible with a homopolymer matrix.

scholarly journals Coarse-Grained Molecular Dynamics Simulations of TRIM5α Self-Assembly and Restriction of HIV

2020 ◽  
Vol 118 (3) ◽  
pp. 516a
Author(s):  
Alvin Yu ◽  
Katarzyna Skorupka ◽  
Alexander Pak ◽  
Barbie K. Ganser-Pornillos ◽  
Owen Pornillos ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
Coarse Grained ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics
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