Molecular simulation of the shape deformation of a polymersome

Kaushik Chakraborty, Wataru Shinoda, Sharon M. Loverde

Research output: Contribution to journalArticlepeer-review

15 Citations (Scopus)


Vesicles composed of diblock copolymers, or polymersomes, have proven to possess numerous applications ranging from drug delivery to catalytically driven nano-motors. The shape of a polymersome can be responsive to external stimuli, such as light or solvent. Molecular dynamics simulations reveal that the shape change upon the contraction of the inner volume of a polymersome vesicle occurs in two separate regimes - a stretching regime and a bending regime. The barrier is shown to be dependent on the solvent environment. These results suggest that tailoring the bending modulus of polymer membranes can be used as a design methodology to engineer new stimuli-responsive vesicles.

Original languageEnglish
Pages (from-to)3234-3244
Number of pages11
JournalSoft Matter
Issue number13
Publication statusPublished - Apr 7 2020
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics


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