Coarse-grain molecular dynamics simulations of nanoparticle-polymer melt: Dispersion vs. agglomeration

2013 ◽  
Vol 138 (14) ◽  
pp. 144901 ◽  
Author(s):  
Tarak K. Patra ◽  
Jayant K. Singh
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Melt ◽  
Coarse Grain ◽  
Dynamics Simulations

scholarly journals The free-volume structure of a polymer melt, poly(vinyl methylether) from molecular dynamics simulations and cavity analysis

2009 ◽  
Vol 131 (6) ◽  
pp. 064903 ◽  
Author(s):  
Dušan Račko ◽  
Sara Capponi ◽  
Fernando Alvarez ◽  
Juan Colmenero ◽  
Josef Bartoš
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Free Volume ◽  
Polymer Melt ◽  
Dynamics Simulations

scholarly journals Studying Peptide Aggregation using Mixed All-Atom/Coarse Grain Molecular Dynamics Simulations

2017 ◽  
Vol 112 (3) ◽  
pp. 198a ◽  
Author(s):  
John C. Shelley ◽  
Mee Shelley ◽  
Myvizhi Esai Selvan ◽  
Jun Zhao ◽  
Volodymyr Babin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Coarse Grain ◽  
Peptide Aggregation ◽  
Dynamics Simulations

Multiscale molecular dynamics simulations of micelles: coarse-grain for self-assembly and atomic resolution for finer details

Soft Matter ◽  
2012 ◽  
Vol 8 (34) ◽  
pp. 9005 ◽  
Author(s):  
Pilar Brocos ◽  
Paola Mendoza-Espinosa ◽  
Rolando Castillo ◽  
Jaime Mas-Oliva ◽  
Ángel Piñeiro
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
Atomic Resolution ◽  
Coarse Grain ◽  
Dynamics Simulations
Sign in / Sign up

Export Citation Format

Share Document