Robert D. Groot (auth.), Mikko Karttunen, Ari Lukkarinen, Ilpo Vattulainen (eds.)3540209166, 9783540209164
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 microscopic, 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.
Table of contents :
Applications of Dissipative Particle Dynamics….Pages 5-38
Simulating the Dynamics of Mesoscopic Systems….Pages 39-68
Statistical Mechanics of Coarse-Graining….Pages 69-115
Mesoscopic Multi-particle Collision Model for Fluid Flow and Molecular Dynamics….Pages 116-149
Molecular Dynamics of Complex Systems: Non-Hamiltonian, Constrained, Quantum-Classical….Pages 150-189
Hybrid Models: Bridging Particle and Continuum Scales in Hydrodynamic Flow Simulations….Pages 190-218
On the Reduction of Molecular Degrees of Freedom in Computer Simulations….Pages 219-244
Computer Simulations of the Electric Double Layer….Pages 245-278
Lattice Boltzmann Modeling of Complex Fluids: Colloidal Suspensions and Fluid Mixtures….Pages 279-309
Reverse Non-equilibrium Molecular Dynamics….Pages 310-326
Coarse-Graining in Polymer Simulations….Pages 327-356
Phase-Field Modeling of Dynamical Interface Phenomena in Fluids….Pages 357-388
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