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TitleMultiscale Modelling and Simulation [electronic resource] / edited by Sabine Attinger, Petros Koumoutsakos
ImprintBerlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2004
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Descript VIII, 284 p. 228 illus., 141 illus. in color. online resource


I Mathematical Methods -- Some Recent Progress in Multiscale Modeling -- Homogenization Method for Transport of DNA Particles in Heterogeneous Arrays -- Metastability, conformation dynamics, and transition pathways in complex systems -- Nonlinear Dynamics Analysis through Molecular Dynamics Simulations -- Exploration of coarse free energy surfaces templated on continuum numerical methods -- Damping factors for the gap-tooth scheme -- II Materials Science -- Multiscale Aspects of Polymer Simulations -- Polymers near a Surface: An ab initio Density Functional based Multiscale Modeling Approach -- Dual Resolution Molecular Simulation of Bisphenol-A Polycarbonate Adsorption onto Nickel (111): Chain Length Effects -- Stress and energy flow field near a rapidly propagating mode I crack -- A Peierls Criterion for Deformation Twinning at a Mode II Crack -- III Physics/Chemistry/Fluid Dynamics/Biology -- Simulation of Transport in Partially Miscible Binary Fluids: Combination of Semigrandcanonical Monte Carlo and Molecular Dynamics Methods -- Computer simulations of SiO2 and GeO2 -- Large Scale Density Functional Calculations -- Dispersion corrected density functionals applied to the water naphthalene cluster -- Flow of Aqueous Solutions in Carbon Nanotubes -- Continuum-particle hybrid methods for dense fluids -- Dissipative Particle Dynamics for Modeling Complex Fluidics -- Population balance modeling of synthesis of nanoparticles in aerosol flame reactors -- Modelling gene expression using stochastic simulation -- Color Plates

Mathematics Chemometrics Computer mathematics Mathematical models Applied mathematics Engineering mathematics Mathematics Mathematical Modeling and Industrial Mathematics Computational Mathematics and Numerical Analysis Appl.Mathematics/Computational Methods of Engineering Math. Applications in Chemistry


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