MPIP Publications

Search results

Journal Article (26)

  1. 1.
    Journal Article
    Zhang, G.; Chazirakis, A.; Harmandaris, V. A.; Stühn, T.; Daoulas, K. C.; Kremer, K.: Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution. Soft Matter 15 (2) (2019)
  2. 2.
    Journal Article
    Butt, H.-J.; Duran, H.; Egger, W.; Faupel, F.; Harmandaris, V.; Harms, S.; Johnston, K.; Kremer, K.; Lin, F.-Y.; Lue, L. et al.; Ohrt, C.; Raetzke, K.; Ravelli, L.; Steffen, W.; Vianna, S. D. B.: Interphase of a Polymer at a Solid Interface. Macromolecules 47 (23), pp. 8459 - 8465 (2014)
  3. 3.
    Journal Article
    Harmandaris, V. A.; Kremer, K.; Floudas, G.: Dynamic Heterogeneity in Fully Miscible Blends of Polystyrene with Oligostyrene. Physical Review Letters 110 (16), 165701 (2013)
  4. 4.
    Journal Article
    Johnston, K.; Harmandaris, V.: Hierarchical Multiscale Modeling of Polymer-Solid Interfaces: Atomistic to Coarse-Grained Description and Structural and Conformational Properties of Polystyrene-Gold Systems. Macromolecules 46 (14), pp. 5741 - 5750 (2013)
  5. 5.
    Journal Article
    Johnston, K.; Harmandaris, V.: Hierarchical simulations of hybrid polymer-solid materials. Soft Matter 9 (29), pp. 6696 - 6710 (2013)
  6. 6.
    Journal Article
    Johnston, K.; Harmandaris, V.: Properties of short polystyrene chains confined between two gold surfaces through a combined density functional theory and classical molecular dynamics approach. Soft Matter 8 (23), pp. 6320 - 6332 (2012)
  7. 7.
    Journal Article
    Fritz, D.; Koschke, K.; Harmandaris, V. A.; van der Vegt, N. F. A.; Kremer, K.: Multiscale modeling of soft matter: scaling of dynamics. Physical Chemistry Chemical Physics 13 (22), pp. 10412 - 10420 (2011)
  8. 8.
    Journal Article
    Harmandaris, V. A.; Floudas, G.; Kremer, K.: Temperature and Pressure Dependence of Polystyrene Dynamics through Molecular Dynamics Simulations and Experiments. Macromolecules 44 (2), pp. 393 - 402 (2011)
  9. 9.
    Journal Article
    Johnston, K.; Harmandaris, V.: Properties of Benzene Confined between Two Au(111) Surfaces Using a Combined Density Functional Theory and Classical Molecular Dynamics Approach. Journal of Physical Chemistry C 115 (30), pp. 14707 - 14717 (2011)
  10. 10.
    Journal Article
    Cherdhirankorn, T.; Harmandaris, V.; Juhari, A.; Voudouris, P.; Fytas, G.; Kremer, K.; Koynov, K.: Fluorescence Correlation Spectroscopy Study of Molecular Probe Diffusion in Polymer Melts. Macromolecules 42 (13), pp. 4858 - 4866 (2009)
  11. 11.
    Journal Article
    Fritz, D.; Harmandaris, V. A.; Kremer, K.; van der Vegt, N. F. A.: Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities. Macromolecules 42 (19), pp. 7579 - 7588 (2009)
  12. 12.
    Journal Article
    Harmandaris, V. A.; Kremer, K.: Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations. Macromolecules 42 (3), pp. 791 - 802 (2009)
  13. 13.
    Journal Article
    Harmandaris, V. A.; Kremer, K.: Predicting polymer dynamics at multiple length and time scales. Soft Matter 5 (20), pp. 3920 - 3926 (2009)
  14. 14.
    Journal Article
    Mulder, T.; Harmandaris, V. A.; Lyuin, A. V.; van der Vegt, N. F. A.; Kremer, K.; Michels, M. A. J.: Structural Properties of Atactic Polystyrene of Different Thermal History Obtained from a Multiscale Simulation. Macromolecules 42 (1), pp. 384 - 391 (2009)
  15. 15.
    Journal Article
    Mulder, T.; Harmandaris, V. A.; Lyulin, A. V.; van der Vegt, N. F. A.; Michels, M. A. J.: Molecular Simulation Via Connectivity-altering Monte Carlo and Scale-jumping Methods: Application to Amorphous Polystyrene. Macromolecular Theory and Simulations 17 (7-8), pp. 393 - 402 (2008)
  16. 16.
    Journal Article
    Mulder, T.; Harmandaris, V. A.; Lyulin, A. V.; van der Vegt, N. F. A.; Vorselaars, B.; Michels, M. A. J.: Equilibration and Deformation of Amorphous Polystyrene: Scale-jumping Simulational Approach. Macromolecular Theory and Simulations 17 (6), pp. 290 - 300 (2008)
  17. 17.
    Journal Article
    Tsolou, G.; Harmandaris, V. A.; Mavrantzas, V. G.: Molecular dynamics simulation of temperature and pressure effects on the intermediate length scale dynamics and zero shear rate viscosity of cis-1,4-polybutadiene: Rouse mode analysis and dynamic structure factor spectra. Journal of Non-Newtonian Fluid Mechanics 152 (1-3), pp. 184 - 194 (2008)
  18. 18.
    Journal Article
    Alexiadis, O.; Harmandaris, V. A.; Mavrantzas, V. G.; Delle Site, L.: Atomistic simulation of alkanethiol self-assembled monolayers on different metal surfaces via a quantum, first-principles parametrization of the sulfur-metal interaction. The Journal of Physical Chemistry C 111 (17), pp. 6380 - 6391 (2007)
  19. 19.
    Journal Article
    Harmandaris, V. A.; Adhikari, N. P.; van der Vegt, N. F. A.; Kremer, K.; Mann, B. A.; Voelkel, R.; Weiss, H.; Liew, C. C.: Ethylbenzene diffusion in polystyrene: United atom atomistic/coarse grained simulations and experiments. Macromolecules 40 (19), pp. 7026 - 7035 (2007)
  20. 20.
    Journal Article
    Harmandaris, V. A.; Reith, D.; van der Vegt, N. F. A.; Kremer, K.: Comparison between coarse-graining models for polymer systems: Two mapping schemes for polystyrene. Macromolecular Chemistry and Physics 208 (19-20), pp. 2109 - 2120 (2007)
 
loading content
Go to Editor View