Multiscale Simulations of Polymer Dynamics

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

    5600 MB Eindhoven

    Nederland

  • Groene Loper, Flux, room 5.096

    5612 AP Eindhoven

    Nederland

Organisatieprofiel

Introductie / missie

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

Over de organisatie

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).

Vingerafdruk Verdiep u in de onderzoeksgebieden waarop Multiscale Simulations of Polymer Dynamics actief is. Deze onderwerplabels komen uit het werk van de leden van deze organisatie. Samen vormen ze een unieke vingerafdruk.

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    Onderzoeksoutput

    • 104 Tijdschriftartikel
    • 15 Conferentiebijdrage
    • 1 Rapport
    • 1 Dissertatie 1 (Onderzoek TU/e / Promotie 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 blz., 112340.

    Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer 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 blz., 113686.

    Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

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

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

    Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

    Open Access
    Bestand
  • 7 Downloads (Pure)