Efficient sampling of functionalized polymers forming reversible linkages


We investigate single-chain folding of polymers functionalized with reactive complexes by means of a new Monte Carlo algorithm. Reversible linkages, mediated by non-covalent (e.g. hydrogen bonding or π-π stacking) or... [ view full abstract ]


  1. Bernardo Oyarzun (Universite Libre de Bruxelles)
  2. Bortolo M. Mognetti (Universite Libre de Bruxelles)

Topic Areas

Advances in molecular simulation , Engineered self-assembly


AMS-2 » Parallel Session - Advances in Molecular Simulation (10:30 - Thursday, 7th September, Pentland Suite)

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