Inhalt

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   Table of contents
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  Introduction
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   Computer simulations in soft-matter research
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   Biomembranes
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   Meaning of the mosaicity
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   Controlling the mosaicity
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   Computer simulations of biomembranes
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   This work
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  SoftSimWiki
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   Simulation methods in soft-matter research
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   Maintaining an overview
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   Obtaining in-depth knowledge
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   Finding software and tools
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   Implementing the method
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   Collaborative online platforms
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   Wikis
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   Web forums
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   SoftSimWiki: A collaborative online platform for soft-matter simulations
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   Technical fundament: Mediawiki and extensions
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   Structuring the wiki
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   Supporting the scientific work style
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   Lowering the initial barrier
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   Ensuring the quality
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   Conclusions
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  Off-lattice Template Library OLTL
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  Library Design
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   Design criteria
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   Toolbox vs. framework
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   Boundary conditions
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   Cell lists
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   Potentials
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   Random number generators
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   Nematic order parameter
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   Multi-dimensional arrays
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   Histograms
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   Parameter files
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   Conclusions
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  Lipid bilayers
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   Lipid structure
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   Lipid phases in watery environment
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  Lipid bilayer phases
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   Temperature dependence
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   Pressure dependence
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   Lipid type dependence
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   Conclusions
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  Modelling a lipid bilayer
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   Top-down and bottom-up modelling
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  Other bilayer models
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   Bottom-up bead-spring models
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   Top-down bead-spring models
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   Molecular models
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   Lipid model
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   Nonbonded interactions
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   Bonded interactions
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   Solvent environment model
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   Surface potential solvent environment model
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   Phantom solvent beads
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   Bilayer reference model
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   Conclusions
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  Simulation details
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   Algorithms
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   Simulation runs
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   Observables
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   End-to-end vector, chain length and tilt
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   Bilayer thickness and area per lipid
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   Chain order parameter and nematic order parameter
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   Radial distribution function
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   Density profiles
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   Structure factor
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   Conclusions
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  Phase behaviour of the model
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   Self-assembly
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   Phases of the reference model
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   Transverse bilayer structure
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   Short-range order
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   Long-range order
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   Phase transitions and hysteresis
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   Model variants
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   Longer bonds
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   Longer bonds, surface potential solvent environment
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  Discussion
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   Conversion of simulation units to standard units
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   WAXS structure factor
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   Comparison of the phase behaviour
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   Conclusions
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  Microscopic structure of the ripple phases
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  Research to date
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   Experimental evidence
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   Theories
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   Simulation studies
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  Asymmetric ripple structures in the model
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   Bilayer thickness
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   Lipid ordering
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   Chain tilt and splay
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   Domain structure and ripple repeat distance
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   Symmetric ripple structures in the model
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  Discussion
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   Splay instead of tilt
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   Explaining the phase diagram
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   Ripple structures
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   Comparison to other studies
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   Conclusions
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   Volume moves
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   Acknowledgements
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   Bibliography
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   Index