de.mpg.escidoc.pubman.appbase.FacesBean
Deutsch
 
Hilfe Wegweiser Datenschutzhinweis Impressum Kontakt
  DetailsucheBrowse

Datensatz

DATENSATZ AKTIONENEXPORT

Freigegeben

Zeitschriftenartikel

Coarse-graining in polymer simulation: From the atomistic to the mesoscopic scale and back

MPG-Autoren
http://pubman.mpdl.mpg.de/cone/persons/resource/persons48471

Müller-Plathe,  Florian
MPI for Polymer Research, Max Planck Society;

Externe Ressourcen
Es sind keine Externen Ressourcen verfügbar
Volltexte (frei zugänglich)
Es sind keine frei zugänglichen Volltexte verfügbar
Ergänzendes Material (frei zugänglich)
Es sind keine frei zugänglichen Ergänzenden Materialien verfügbar
Zitation

Müller-Plathe, F. (2002). Coarse-graining in polymer simulation: From the atomistic to the mesoscopic scale and back. ChemPhysChem, 3(9), 754-769.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-000F-64F0-A
Zusammenfassung
Polymers can be theoretically and computationally described by models pertaining to different length scales and corresponding time scales. These models have traditionally been used independently of each other. Recently, considerable progress has been made In systematically linking models of different scales. This Review focuses on the generation of lattice and off-lattice coarse-grained polymer models, whose "monomers" correspond to roughly a chemical repeat unit, from chemically detailed atomistic simulations of the same polymers. Computational methods are described as well as applications to polymers in the melt and in solution. The success of multiscale simulations in solving real-world polymer problems that could not be solved in any other way suggests that they will have an important role to play in the future.