Coarse-grained molecular-dynamics simulations of nanoparticle diffusion in polymer nanocomposites

Versatile Object-Oriented Toolkit for Coarse-Graining Applications

Victor Rühle, Christoph Junghans, Alexandr Lukyanov et al. · Journal of Chemical Theory and Computation · 2009 · 482 citations

Engineering, Mechanical Engineering, Material Simulation +25

Mobility of Nonsticky Nanoparticles in Polymer Liquids

Li-Heng Cai, Sergey Panyukov, Michael Rubinstein · Macromolecules · 2011 · 369 citations · Full text

A molecular dynamics simulation study of the viscoelastic properties of polymer nanocomposites

Grant D. Smith, Dmitry Bedrov, Liwei Li et al. · The Journal of Chemical Physics · 2002 · 275 citations

Conventional Particle Composites, Engineering, Mechanical Engineering +18

Multiscale modeling of soft matter: scaling of dynamics

Dominik Fritz, Konstantin Koschke, Vagelis Harmandaris et al. · Physical Chemistry Chemical Physics · 2011 · 191 citations

Engineering, Multiscale Material, Computational Mechanics +16

Comparison Between Coarse‐Graining Models for Polymer Systems: Two Mapping Schemes for Polystyrene

Vagelis Harmandaris, Dirk Reith, Nico F. A. van der Vegt et al. · Macromolecular Chemistry and Physics · 2007 · 177 citations

Engineering, Mechanical Engineering, Material Simulation +25