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Equilibration and Coarse-Graining Methods for Polymers

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Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 2

Part of the book series: Lecture Notes in Physics ((LNP,volume 704))

Abstract

The broad spectra of length and time scales governing the physical properties of polymers call for hierarchical modelling methods, based on systematic coarse-graining of the molecular representation. This chapter examines some particularly promising elements of such a modelling hierarchy for predicting polymer properties.

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Author information

Authors and Affiliations

  1. School of Chemical Engineering, National Technical University of Athens, 9 Heroon Polytechniou Street, Zografou Campus, 15780, Athens, Greece

    D.N. Theodorou

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  1. D.N. Theodorou
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Editor information

Editors and Affiliations

  1. Dipartimento di Fisica, Università di Modena e Reggio Emilia, Via Campi, 213/A, 41100, Modena, Italy

    Mauro Ferrario Professor

  2. Dipartimento di Fisica, INFN, Università di Roma La Sapienza, Piazzale Aldo Moro 2, 00185, Roma, Italy

    Giovanni Ciccotti Professor

  3. Institut für Physik, Universität Mainz, Staudinger Weg 7, 55128, Mainz, Germany

    Kurt Binder Professor

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Theodorou, D. (2006). Equilibration and Coarse-Graining Methods for Polymers. In: Ferrario, M., Ciccotti, G., Binder, K. (eds) Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 2. Lecture Notes in Physics, vol 704. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-35284-8_16

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