Multiscale Methods In Quantum Mechanics
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Multiscale Methods In Quantum Mechanics
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Author : Philippe Blanchard
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Multiscale Methods In Quantum Mechanics written by Philippe Blanchard and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
This volume explores multiscale methods as applied to various areas of physics and to the relative developments in mathematics. In the last few years, multiscale methods have lead to spectacular progress in our understanding of complex physical systems and have stimulated the development of very refined mathematical techniques. At the same time on the experimental side, equally spectacular progress has been made in developing experimental machinery and techniques to test the foundations of quantum mechanics.
Multiscale Methods In Quantum Mechanics
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Author : P. Blanchard
language : en
Publisher:
Release Date : 2004
Multiscale Methods In Quantum Mechanics written by P. Blanchard and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004 with categories.
Computational Multiscale Modeling Of Fluids And Solids
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Author : Martin Oliver Steinhauser
language : en
Publisher: Springer Science & Business Media
Release Date : 2008
Computational Multiscale Modeling Of Fluids And Solids written by Martin Oliver Steinhauser and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008 with Science categories.
The idea of the book is to provide a comprehensive overview of computational physics methods and techniques, that are used for materials modeling on different length and time scales. Each chapter first provides an overview of the physical basic principles which are the basis for the numerical and mathematical modeling on the respective length-scale. The book includes the micro-scale, the meso-scale and the macro-scale. The chapters follow this classification. The book will explain in detail many tricks of the trade of some of the most important methods and techniques that are used to simulate materials on the perspective levels of spatial and temporal resolution. Case studies are occasionally included to further illustrate some methods or theoretical considerations. Example applications for all techniques are provided, some of which are from the author’s own contributions to some of the research areas. Methods are explained, if possible, on the basis of the original publications but also references to standard text books established in the various fields are mentioned.
Multi Scale Quantum Models For Biocatalysis
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Author : Darrin M. York
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-05-30
Multi Scale Quantum Models For Biocatalysis written by Darrin M. York and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-05-30 with Science categories.
“Multi-scale Quantum Models for Biocatalysis” explores various molecular modelling techniques and their applications in providing an understanding of the detailed mechanisms at play during biocatalysis in enzyme and ribozyme systems. These areas are reviewed by an international team of experts in theoretical, computational chemistry, and biophysics. This book presents detailed reviews concerning the development of various techniques, including ab initio molecular dynamics, density functional theory, combined QM/MM methods, solvation models, force field methods, and free-energy estimation techniques, as well as successful applications of multi-scale methods in the biocatalysis systems including several protein enzymes and ribozymes. This book is an excellent source of information for research professionals involved in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology and for students exposed to these research areas.
Multiscale Modeling And Simulation In Science
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Author : Björn Engquist
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-02-11
Multiscale Modeling And Simulation In Science written by Björn Engquist and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-02-11 with Computers categories.
Most problems in science involve many scales in time and space. An example is turbulent ?ow where the important large scale quantities of lift and drag of a wing depend on the behavior of the small vortices in the boundarylayer. Another example is chemical reactions with concentrations of the species varying over seconds and hours while the time scale of the oscillations of the chemical bonds is of the order of femtoseconds. A third example from structural mechanics is the stress and strain in a solid beam which is well described by macroscopic equations but at the tip of a crack modeling details on a microscale are needed. A common dif?culty with the simulation of these problems and many others in physics, chemistry and biology is that an attempt to represent all scales will lead to an enormous computational problem with unacceptably long computation times and large memory requirements. On the other hand, if the discretization at a coarse level ignoresthe?nescale informationthenthesolutionwillnotbephysicallymeaningful. The in?uence of the ?ne scales must be incorporated into the model. This volume is the result of a Summer School on Multiscale Modeling and S- ulation in Science held at Boso ¤n, Lidingo ¤ outside Stockholm, Sweden, in June 2007. Sixty PhD students from applied mathematics, the sciences and engineering parti- pated in the summer school.
Modeling Materials
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Author : Ellad B. Tadmor
language : en
Publisher: Cambridge University Press
Release Date : 2011-11-24
Modeling Materials written by Ellad B. Tadmor and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-11-24 with Science categories.
Material properties emerge from phenomena on scales ranging from Angstroms to millimeters, and only a multiscale treatment can provide a complete understanding. Materials researchers must therefore understand fundamental concepts and techniques from different fields, and these are presented in a comprehensive and integrated fashion for the first time in this book. Incorporating continuum mechanics, quantum mechanics, statistical mechanics, atomistic simulations and multiscale techniques, the book explains many of the key theoretical ideas behind multiscale modeling. Classical topics are blended with new techniques to demonstrate the connections between different fields and highlight current research trends. Example applications drawn from modern research on the thermo-mechanical properties of crystalline solids are used as a unifying focus throughout the text. Together with its companion book, Continuum Mechanics and Thermodynamics (Cambridge University Press, 2011), this work presents the complete fundamentals of materials modeling for graduate students and researchers in physics, materials science, chemistry and engineering.
Principles Of Multiscale Modeling
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Author : Weinan E
language : en
Publisher: Cambridge University Press
Release Date : 2011-07-07
Principles Of Multiscale Modeling written by Weinan E and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-07-07 with Mathematics categories.
A systematic discussion of the fundamental principles, written by a leading contributor to the field.
Quantum Transport
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Author : Grégoire Allaire
language : en
Publisher: Springer
Release Date : 2008-07-03
Quantum Transport written by Grégoire Allaire and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-07-03 with Mathematics categories.
In this volume, a result of The CIME Summer School held in Cetraro, Italy, in 2006, four leading specialists present different aspects of quantum transport modeling. It provides an excellent basis for researchers in this field.
Multiscale Modeling In Nanophotonics
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Author : Alexander Bagaturyants
language : en
Publisher: CRC Press
Release Date : 2017-11-22
Multiscale Modeling In Nanophotonics written by Alexander Bagaturyants and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-11-22 with Science categories.
The idea of theoretically predicting the useful properties of various materials using multiscale simulations has become popular in recent years. Of special interest are nanostructured, organic functional materials, which have a hierarchical structure and are considered materials of the future because of their flexibility and versatility. Their functional properties are inherited from the molecule that lies at the heart of the hierarchical structure. On the other hand, the properties of this functional molecule, in particular its absorption and emission spectra, strongly depend on its interactions with its molecular environment. Therefore, the multiscale simulations used to predict the properties of organic functional materials should be atomistic, that is, they should be based on classical and/or quantum methods that explicitly take into account the molecular structure and intermolecular interactions at the atomic level. This book, written by well-known specialists in theoretical chemistry, focuses on the basics of classical mechanics, quantum chemistry methods used for molecular disordered materials, classical methods of molecular simulations of disordered materials, vibronic interactions, and applications (presented as multiscale strategies for atomistic simulations of photonic materials). It has been edited by Professor Mikhail Alfimov, a renowned Russian scientist, a full member of the Russian Academy of Sciences, Russia, and the founder, first director, and now research supervisor of the Photochemistry Center of the Russian Academy of Science, Russia. Professor Alfimov’s main research interests are in the field of photochemistry and photophysics of molecular and supramolecular systems. The book is a great reference for advanced undergraduate- and graduate-level students of nanotechnology and molecular science and researchers in nano- and molecular science, nanotechnology, chemistry, and physical chemistry, especially those with an interest in functional materials.
Multiscale Computational Methods In Chemistry And Physics
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Author : Achi Brandt
language : en
Publisher:
Release Date : 2001
Multiscale Computational Methods In Chemistry And Physics written by Achi Brandt and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001 with Chemistry categories.
This book brings together interdisciplinary contributions ranging from applied mathematics, theoretical physics, quantum chemistry and molecular biology, all addressing various facets of the problem to connect the many different scales that one has to deal with in the computer simulation of many systems of interest in chemistry (e.g. polymeric materials, biological molecules, clusters, surface and interface structure). Particular emphasis is on the "multigrid technique" and its applications, ranging from electronic structure calculations to the statistical mechanics of polymers.