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Computer Simulations of the Electric Double Layer
We describe the Lekner–Sperb summation technique used to calculate the Coulomb interaction in 2D periodic systems, and discuss in detail the methods...
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Molecular Dynamics of Complex Systems: Non-Hamiltonian, Constrained, Quantum-Classical
A theoretically sound and computationally tractable treatment for non-Hamiltonian molecular dynamics is needed for simulations of complex systems....
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Characterization of Floating Surface Layers of Lipids and Lipopolymers by Surface-Sensitive Scattering
Nanotechnology and molecular (bio-)engineering are making ever deepening inroads into everybody’s daily life. Physicochemical and biotechnological...
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Reverse Non-equilibrium Molecular Dynamics
We review non-equilibrium methods for calculating transport coefficients with emphasis on the reverse non-equilibrium molecular dynamics (RNEMD)...
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Mesoscopic Multi-particle Collision Model for Fluid Flow and Molecular Dynamics
Several aspects of modeling dynamics at the mesoscale level are discussed: (1) The construction of a mesoscopic description of fluid dynamics. The...
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On the Reduction of Molecular Degrees of Freedom in Computer Simulations
Molecular simulations, based on atomistic force fields are a standard theoretical tool in materials, polymers and biosciences. While various methods,...
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Lattice Boltzmann Modeling of Complex Fluids: Colloidal Suspensions and Fluid Mixtures
The study of complex fluid dynamics requires development of numerical tools that capture the essentials of the dynamic coupling among the different...
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Molecular Dynamics of Liquids in Confinement
Surface and confinement effects may have substantial effects on the molecular and collective dynamics of liquids. Within this chapter, we describe...
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NMR Studies of Cartilage – Dynamics, Diffusion, Degradation
An increasing number of people is suffering from rheumatic diseases, and, therefore, methods of early diagnosis of joint degeneration are urgently...
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6 Stepwise Inflation of a Balloon
When we inflate a balloon in the usual manner, namely by blowing air into it by mouth, we first inhale deeply by expanding our lungs. After that we...
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9 Stability of the Spherical Shape
Ever so often we observe that a balloon, which is spherical in the undistorted state, becomes elongated upon inflation so that we obtain a...
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Nucleation and Crystallization in Diblock and Triblock Copolymers
Crystallization of block copolymer microdomains can have a tremendous influence on the morphology, properties and applications of these materials....
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Block Copolymer Micelles
This review summarizes recent advances to date in the area of block copolymer micelles and also tries to highlight some new directions in that...
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Dumbbell Model for Dilute and Semi-Dilute Solutions
Dumbbell models are very crude representations of polymer molecules. Too crude to be of much interest to a polymer chemist, since it in no way...
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Equilibrium Statistics: Monte Carlo Methods
Monte Carlo methods use random numbers, or ‘random’ sequences, to sample from a known shape of a distribution, or to extract distribution by other...
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Effect of Shear Flow on Polymer Blends
An overview of the various theoretical approaches to understanding the effect of shear flow on polymer blends is presented. Two differing models...
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Efficient Methods to Compute Long-Range Interactions for Soft Matter Systems
An extensive introduction to the topic of how to compute long-range interactions efficiently is presented. First, the traditional Ewald sum for 3D...
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Direct Observation of the Growth of Lamellae and Spherulites by AFM
This article describes some of the progress made in the understanding of the growth of polymer lamellae and spherulites using atomic force...
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Toughness of Neat, Rubber Modified and Filled β-nucleated Polypropylene: from Fundamentals to Applications
This review highlights several aspects of the toughness of β-nucleated polypropylene (PP). The focus is on dynamic fracture properties, a topic...