Multiscale Simulations of Polymer Dynamics

  • P.O. Box 513, Department of Applied Physics

    5600 MB Eindhoven

    Netherlands

  • Groene Loper, Flux, room 5.096

    5612 AP Eindhoven

    Netherlands

Organization profile

Introduction / mission

Dr. Alexey Lyulin performs Multiscale Simulations of Polymer Dynamics at the Theory of Polymers and Soft Matter research group

Organisational profile

The emphasis in Dr. Alexey Lyulin's research is on atomic-scale modeling of macromolecules, including glasses, dendrimers, polymer nanocomposites and thin polymer films. But the main focus is - of course - on polymer dynamics and mechanics. The fundamental insight generated by the multiscale computer simulations of Lyulin and his co-workers will help in developing new materials with improved ultimate properties. They apply their multi-scale computational approach for the study of glass transition and mechanical properties of amorphous polymers in a bulk and in thin films; Stability and toxicity of complexes of charged dendrimers and hyperbranched polymers with applications in linear polyelectrolytes and drugs for biomedical applications; Non-newtonian rheology of linear and hyperbranched polymers in hydrodynamic flows; and Microstructure and macromechanics of polymer nanocomposites. The Lyulin group aims at developing a long-standing research program in Eindhoven for multi-scale computer simulations (from macro scale to nanoscale, in time and space) of polymer dynamics and mechanics.

The group is an important part of the Center for Computational Energy Research (CCER).

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    Research Output

    • 104 Article
    • 15 Conference contribution
    • 1 Report
    • 1 Phd Thesis 1 (Research TU/e / Graduation TU/e)

    Charge delocalization effects on Nafion structure and water /proton dynamics in hydrated environments

    Pant, R., Sengupta, S., Lyulin, A. V. & Venkatnathan, A., 15 Jan 2020, In : Fluid Phase Equilibria. 504, 6 p., 112340.

    Research output: Contribution to journalArticleAcademicpeer-review

  • 1 Downloads (Pure)

    Computational investigation of a protic ionic liquid doped poly-benzimidazole fuel cell electrolyte

    Pant, R., Sengupta, S., Lyulin, A. V. & Venkatnathan, A., 15 Sep 2020, In : Journal of Molecular Liquids. 314, 5 p., 113686.

    Research output: Contribution to journalArticleAcademicpeer-review

    Open Access
  • Dissipative particle dynamics modeling of polyelectrolyte membrane-water interfaces

    Sengupta, S. & Lyulin, A., 14 Apr 2020, In : Polymers. 12, 4, 17 p., 907.

    Research output: Contribution to journalArticleAcademicpeer-review

    Open Access
    File
  • 7 Downloads (Pure)