Multiscale modelling and simulation / Sabine Attinger, Petros Koumoutsakos, editors.

Contributor(s): Attinger, Sabine [editor] | Koumoutsakos, Petros D [editor]Material type: TextTextLanguage: English Series: Lecture notes in computational science and engineering ; 39Copyright date: Berlin ; New York : Springer, 2004Edition: First EditionDescription: viii, 277 pages : illustrations (some colours) ; 24 cmISBN: 3540211802 ; 9783540211808Subject(s): Mathematical models | Modelos matemáticos | Multiscale modeling | Modelado multiescalaDDC classification: 511.8 Online resources: Publisher description
Partial contents:
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 -- 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 -- 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.
Abstract: 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.
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Libro académico Libro académico Biblioteca del Campus
511.8 M9618 2004 (Browse shelf (Opens below)) Ej. 1 Available 001676
Libro académico Libro académico Biblioteca del Campus
511.8 M9618 2004 (Browse shelf (Opens below)) Ej. 2 Available 001677
Libro académico Libro académico Biblioteca del Campus
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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 -- 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 -- 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.

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.

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