Novel Methods in Soft Matter Simulations

Soft matter and biological systems pose many challenges for theoretical, experimental and computational research. From the computational point of view, these many-body systems cover variations in relevant time and length scales over many orders of magnitude. Indeed, the macroscopic properties of materials and complex fluids are ultimately to be deduced from the dynamics of the microsopic, molecular level. In these lectures, internationally renowned experts offer a tutorial presentation of novel approaches for bridging these space and time scales in realistic simulations. This volume addresses graduate students and nonspecialist researchers from related areas seeking a high-level but accessible introduction to the state of the art in soft matter simulations.

Includes supplementary material: sn.pub/extras

Inhalt
Applications of Dissipative Particle Dynamics.- Simulating the Dynamics of Mesoscopic Systems.- Statistical Mechanics of Coarse-Graining.- Mesoscopic Multi-Particle Collision Model for Fluid Flow and Molecular Dynamics.- Molecular Dynamics of Complex Systems: Non-Hamiltonian, Constrained, Quantum-Classical.- Hybrid Models: Bridging Particle and Continuum Scales in Hydrodynamic Flow Simulations.- On the Reduction of Molecular Degrees of Freedom in Computer Simulations.- Computer Simulations of the Electric Double Layer.- Lattice Boltzmann Modeling of Complex Fluids: Collodial Suspensions and Fluid Mixtures.- Reverse Non-Equilibrium Molecular Dynamics.- Coarse-Graining in Polymer Simulations.- Phase-Field Modeling of Dynamical Interface Phenomena in Fluids.