Multiscale Modelling and Simulation: Lecture Notes in Computational Science and Engineering, cartea 39

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.

Includes supplementary material: sn.pub/extras