2005/01/15 by Michael Bachmann, Handan Arkın, Wolfhard Janke
Chemistry · Materials Science · Physics and Astronomy · #Block Copolymer Self-Assembly #Surfactants and Colloidal Systems #Theoretical and Computational Physics #cond-mat.stat-mech
paper · pdf · doi:10.1103/physreve.71.031906
published as Phys. Rev. E 71, 031906(1-11) (2005) · 11 pages, RevTeX, 10 Postscript figures, Author Information under http://www.physik.uni-leipzig.de/index.php?id=22
arxiv created 2005/01/15 · openalex publication_date 2005/03/17 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We have performed multicanonical simulations of hydrophobic-hydrophilic heteropolymers with two simple effective, coarse-grained off-lattice models to study the influence of specific interactions in the models on conformational transitions of selected sequences with 20 monomers. Another aspect of the investigation was the comparison with the purely hydrophobic homopolymer and the study of general conformational properties induced by the "disorder" in the sequence of a heteropolymer. Furthermore, we applied an optimization algorithm to sequences with up to 55 monomers and compared the global-energy minimum found with lowest-energy states identified within the multicanonical simulation. This was used to find out how reliable the multicanonical method samples the free-energy landscape, in particular for low temperatures.