Georgios G. Vogiatzis

← Research

Fundamentals and methods

Spatial coarse-graining and reverse mapping

Systems that are too large or too slow for atomistic simulation can be equilibrated with coarse-grained models, and atomistic detail is then restored by reverse mapping. The approach has been applied to polystyrene (PS) systems: all-PS nanocomposites, PS/C60 mixtures and PS/silica nanocomposites.

Applied in Structure and dynamics of polymer nanocomposites

Publications

Publications related to this direction, newest first; key papers are tagged. The complete list is on the Publications page.

2016

  • Multiscale simulations of PS–SiO2 nanocomposites: from melt to glassy state

    I. G. Mathioudakis, G. G. Vogiatzis, C. Tzoumanekas, D. N. Theodorou

    Soft Matter, 12, 7585-7605 · doi:10.1039/c6sm01536k

  • Molecular modeling and simulation of atactic polystyrene/amorphous silica nanocomposites

    I. Mathioudakis, G. G. Vogiatzis, C. Tzoumanekas, D. N. Theodorou

    Journal of Physics: Conference Series, 738, 012021 · doi:10.1088/1742-6596/738/1/012021 Proceedings

2014

  • Local Segmental Dynamics and Stresses in Polystyrene–C60 Mixtures Key paper

    G. G. Vogiatzis, D. N. Theodorou

    Macromolecules, 47, 387-404 · doi:10.1021/ma402214r

2011

  • Monte Carlo simulations of a coarse grained model for an athermal all-polystyrene nanocomposite system Key paper

    G. G. Vogiatzis, E. Voyiatzis, D. N. Theodorou

    European Polymer Journal, 47, 699-712 · doi:10.1016/j.eurpolymj.2010.09.017

All research directions

Fundamentals and methods

Materials and applications