Hauptseminar Moderne Simulationsmethoden WS 2009/Polymersimulation

<setdata> date=t.b.a. topic=Polymersimulation: Bond-fluctuation Modell und nicht gittergestützte Simulationen speaker= tutor=Florian Rühle </setdata>

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Literatur

I. Carmesin and Kurt Kremer - The Bond Fluctuation Method: A New Effective Algorithm for the Dynamics of Polymers in All Spatial Dimensions
Macromolecules, Vol. 21, No.9, pages 2819-2823 (1988)

G.W. Slater, C. Holm et al. - Modeling the separation of macromolecules: A review of current computer simulation methods
Electrophoresis, Vol. 30, pages 792-818 (2009)
(especially chapters 2.1.3 and 2.6.2.1)

D. Rigby and B.E. Eichinger - Polymer Modeling: Where Has it Been and Where is it Going?
Macromol. Symp., Vol. 201, pages 47-56 (2003)

Gliederungsvorschlag

1. Was sind Polymere?

2. Notwendige Vereinfachungen

3. Bond-fluctuation model

4. Off-lattice approach