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Multiscale Modelling and Simulation : Lecture Notes in Computational Science and Engineering - Sabine Attinger

Multiscale Modelling and Simulation

Lecture Notes in Computational Science and Engineering

By: Sabine Attinger (Editor), Petros D. Koumoutsakos (Editor)

Paperback Published: 1st August 2004
ISBN: 9783540211808
Number Of Pages: 277

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In August 2003, ETHZ Computational Laboratory (CoLab), together with the Swiss Center for Scientific Computing in Manno and the Università della Svizzera Italiana (USI), organized the Summer School in "Multiscale Modelling and Simulation" in Lugano, Switzerland. This summer school brought together experts in different disciplines to exchange ideas on how to link methodologies on different scales. Relevant examples of practical interest include: structural analysis of materials, flow through porous media, turbulent transport in high Reynolds number flows, large-scale molecular dynamic simulations, ab-initio physics and chemistry, and a multitude of others. Though multiple scale models are not new, the topic has recently taken on a new sense of urgency. A number of hybrid approaches are now created in which ideas coming from distinct disciplines or modelling approaches are unified to produce new and computationally efficient techniques.

Some recent progress in multiscale modelingp. 3
Homogenization method for transport of DNA particles in heterogeneous arraysp. 23
Metastability, conformation dynamics, and transition pathways in complex systemsp. 35
Nonlinear dynamics analysis through molecular dynamics simulationsp. 69
Exploration of coarse free energy surfaces templated on continuum numerical methodsp. 81
Damping factors for the gap-tooth schemep. 93
Multiscale aspects of polymer simulationsp. 105
Polymers near a surface : an ab initio density functional based multiscale modeling approachp. 121
Dual resolution molecular simulation of bisphenol-A polycarbonate adsorption onto nickel (111) : chain length effectsp. 131
Stress and energy flow field near a rapidly propagating mode I crackp. 143
A Peierls criterion for deformation twinning at a mode II crackp. 157
Simulation of transport in partially miscible binary fluids : combination of semigrandcanonical Monte Carlo and molecular dynamics methodsp. 169
Computer simulations of SiO[subscript 2] and GeO[subscript 2]p. 187
Large scale density functional calculationsp. 195
Dispersion corrected density functionals applied to the water naphthalene clusterp. 205
Flow of aqueous solutions in carbon nanotubesp. 215
Continuum-particle hybrid methods for dense fluidsp. 227
Dissipative particle dynamics for modeling complex fluidicsp. 237
Population balance modeling of synthesis of nanoparticles in aerosol flame reactorsp. 247
Modelling gene expression using stochastic simulationp. 259
Table of Contents provided by Blackwell. All Rights Reserved.

ISBN: 9783540211808
ISBN-10: 3540211802
Series: Lecture Notes in Computational Science and Engineering
Audience: General
Format: Paperback
Language: English
Number Of Pages: 277
Published: 1st August 2004
Publisher: Springer-Verlag Berlin and Heidelberg Gmbh & Co. Kg
Country of Publication: DE
Dimensions (cm): 23.37 x 15.49  x 1.27
Weight (kg): 0.43

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