Advancing Theory for Kinetics and Dynamics of Complex, Many-Dimensional Systems

Advancing Theory for Kinetics and Dynamics of Complex, Many-Dimensional Systems

Author: Tamiki Komatsuzaki

Publisher: John Wiley & Sons

Published: 2011-09-13

Total Pages: 276

ISBN-13: 0470643714

DOWNLOAD EBOOK

This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 145 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.


Book Synopsis Advancing Theory for Kinetics and Dynamics of Complex, Many-Dimensional Systems by : Tamiki Komatsuzaki

Download or read book Advancing Theory for Kinetics and Dynamics of Complex, Many-Dimensional Systems written by Tamiki Komatsuzaki and published by John Wiley & Sons. This book was released on 2011-09-13 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 145 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.


Reviews in Computational Chemistry

Reviews in Computational Chemistry

Author: Abby L. Parrill

Publisher: John Wiley & Sons

Published: 2018-10-25

Total Pages: 352

ISBN-13: 1119518075

DOWNLOAD EBOOK

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 31 include: Lattice-Boltzmann Modeling of Multicomponent Systems: An Introduction Modeling Mechanochemistry from First Principles Mapping Energy Transport Networks in Proteins The Role of Computations in Catalysis The Construction of Ab Initio Based Potential Energy Surfaces Uncertainty Quantification for Molecular Dynamics


Book Synopsis Reviews in Computational Chemistry by : Abby L. Parrill

Download or read book Reviews in Computational Chemistry written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2018-10-25 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 31 include: Lattice-Boltzmann Modeling of Multicomponent Systems: An Introduction Modeling Mechanochemistry from First Principles Mapping Energy Transport Networks in Proteins The Role of Computations in Catalysis The Construction of Ab Initio Based Potential Energy Surfaces Uncertainty Quantification for Molecular Dynamics


Reaction Rate Constant Computations

Reaction Rate Constant Computations

Author: Keli Han

Publisher: Royal Society of Chemistry

Published: 2014

Total Pages: 592

ISBN-13: 1849736502

DOWNLOAD EBOOK

The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction and this book presents the latest thinking in modern rate computational theory. The editors have more than 30 years' experience in researching the theoretical computation of chemical reaction rate constants by global dynamics and transition state theories and have brought together a global pool of expertise discussing these in a variety of contexts and across all phases. This thorough treatment of the subject provides an essential handbook to students and researchers entering the field and a comprehensive reference to established practitioners across the sciences, providing better tools to determining reaction rate constants.


Book Synopsis Reaction Rate Constant Computations by : Keli Han

Download or read book Reaction Rate Constant Computations written by Keli Han and published by Royal Society of Chemistry. This book was released on 2014 with total page 592 pages. Available in PDF, EPUB and Kindle. Book excerpt: The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction and this book presents the latest thinking in modern rate computational theory. The editors have more than 30 years' experience in researching the theoretical computation of chemical reaction rate constants by global dynamics and transition state theories and have brought together a global pool of expertise discussing these in a variety of contexts and across all phases. This thorough treatment of the subject provides an essential handbook to students and researchers entering the field and a comprehensive reference to established practitioners across the sciences, providing better tools to determining reaction rate constants.


An Introduction to Cluster Science

An Introduction to Cluster Science

Author: Phuong Mai Dinh

Publisher: John Wiley & Sons

Published: 2013-09-30

Total Pages: 258

ISBN-13: 3527675701

DOWNLOAD EBOOK

Filling the need for a solid textbook, this short primer in cluster science is ideal for a one-semester lecture for advanced undergraduate students. It is based on a series of lectures given by the well-established and recognized authors for the past ten years. The book covers both the basics of the domain as well as up-to-date developments. It can be divided roughly into two parts. The first three chapters introduce basic concepts of cluster science. Chapter 1 provides a general introduction, complemented by chapter 2 on experimental and chapter 3 on theoretical aspects. The second half of the book is devoted to a systematic presentation of free cluster properties, and to a thorough discussion of the impact of clusters in other domains of science. These explicitly worked-out links between cluster physics and other research areas are unique both in terms of fundamental aspects and of applications, and cannot be found elsewhere in the literature. Also suitable for researchers outside of the field looking for an introduction to cluster science.


Book Synopsis An Introduction to Cluster Science by : Phuong Mai Dinh

Download or read book An Introduction to Cluster Science written by Phuong Mai Dinh and published by John Wiley & Sons. This book was released on 2013-09-30 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt: Filling the need for a solid textbook, this short primer in cluster science is ideal for a one-semester lecture for advanced undergraduate students. It is based on a series of lectures given by the well-established and recognized authors for the past ten years. The book covers both the basics of the domain as well as up-to-date developments. It can be divided roughly into two parts. The first three chapters introduce basic concepts of cluster science. Chapter 1 provides a general introduction, complemented by chapter 2 on experimental and chapter 3 on theoretical aspects. The second half of the book is devoted to a systematic presentation of free cluster properties, and to a thorough discussion of the impact of clusters in other domains of science. These explicitly worked-out links between cluster physics and other research areas are unique both in terms of fundamental aspects and of applications, and cannot be found elsewhere in the literature. Also suitable for researchers outside of the field looking for an introduction to cluster science.


Strain Mechanisms in Lead-Free Ferroelectrics for Actuators

Strain Mechanisms in Lead-Free Ferroelectrics for Actuators

Author: Matias Acosta

Publisher: Springer

Published: 2016-01-27

Total Pages: 181

ISBN-13: 3319277561

DOWNLOAD EBOOK

This book addresses and analyzes the mechanisms responsible for functionality of two technologically relevant materials, giving emphasis on the relationship between structural transitions and electromechanical properties. The author investigates the atomic crystal structure and microstructure by means of thermal analysis, as well as diffraction and microscopy techniques. Electric field-, temperature- and frequency-dependent electromechanical properties are also described. Apart from this correlation between structure and properties, characterization was also performed to bridge between basic research and optimization of application-oriented parameters required for technological implementation. The author proposes guidelines to the reader in order to engineer functional properties in other piezoelectric systems, as well as in other similar functional materials with the perovskite structure.


Book Synopsis Strain Mechanisms in Lead-Free Ferroelectrics for Actuators by : Matias Acosta

Download or read book Strain Mechanisms in Lead-Free Ferroelectrics for Actuators written by Matias Acosta and published by Springer. This book was released on 2016-01-27 with total page 181 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book addresses and analyzes the mechanisms responsible for functionality of two technologically relevant materials, giving emphasis on the relationship between structural transitions and electromechanical properties. The author investigates the atomic crystal structure and microstructure by means of thermal analysis, as well as diffraction and microscopy techniques. Electric field-, temperature- and frequency-dependent electromechanical properties are also described. Apart from this correlation between structure and properties, characterization was also performed to bridge between basic research and optimization of application-oriented parameters required for technological implementation. The author proposes guidelines to the reader in order to engineer functional properties in other piezoelectric systems, as well as in other similar functional materials with the perovskite structure.


Catalogue for the Academic Year

Catalogue for the Academic Year

Author: Naval Postgraduate School (U.S.)

Publisher:

Published: 1970

Total Pages: 156

ISBN-13:

DOWNLOAD EBOOK


Book Synopsis Catalogue for the Academic Year by : Naval Postgraduate School (U.S.)

Download or read book Catalogue for the Academic Year written by Naval Postgraduate School (U.S.) and published by . This book was released on 1970 with total page 156 pages. Available in PDF, EPUB and Kindle. Book excerpt:


Journal of the Physical Society of Japan

Journal of the Physical Society of Japan

Author:

Publisher:

Published: 2015

Total Pages: 758

ISBN-13:

DOWNLOAD EBOOK


Book Synopsis Journal of the Physical Society of Japan by :

Download or read book Journal of the Physical Society of Japan written by and published by . This book was released on 2015 with total page 758 pages. Available in PDF, EPUB and Kindle. Book excerpt:


Advanced Molecular Dynamics and Chemical Kinetics

Advanced Molecular Dynamics and Chemical Kinetics

Author: Gert Due Billing

Publisher: Wiley-Interscience

Published: 1997-04-11

Total Pages: 316

ISBN-13:

DOWNLOAD EBOOK

A comprehensive, in-depth presentation of theoretical underpinnings and mathematical techniques This is the first book of its kind to combine all the theories of molecular reaction dynamics and chemical kinetics in a single source. It provides a sophisticated treatment of the material that functions both as a professional reference and a high-level text for PhD and postdoctoral researchers. Advanced Molecular Dynamics and Chemical Kinetics offers exceptional, in-depth coverage and includes a complete discussion of the theoretical as well as mathematical presentation of techniques. It features relevant exercises as well as comprehensive coverage of: * Second Quantization * Semiclassical Theory * Quantum Theory of Reaction Rates * Feynman Path Integrals * Wavepacket Propagation and Grid Methods * Photodissociation * Molecular Properties of Solvated Molecules * Quantum Model for Electron Transfer * Electron Transfer Coupling Elements * Proton Transfer Reactions in Solution This is the ideal reference for seasoned professionals in molecular reaction dynamics as well as for younger researchers who may want to enter the field or simply wish to learn more about it. Also available: Introduction to Molecular Dynamics and Chemical Kinetics Gert D. Billing and Kurt V. Mikkelsen


Book Synopsis Advanced Molecular Dynamics and Chemical Kinetics by : Gert Due Billing

Download or read book Advanced Molecular Dynamics and Chemical Kinetics written by Gert Due Billing and published by Wiley-Interscience. This book was released on 1997-04-11 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive, in-depth presentation of theoretical underpinnings and mathematical techniques This is the first book of its kind to combine all the theories of molecular reaction dynamics and chemical kinetics in a single source. It provides a sophisticated treatment of the material that functions both as a professional reference and a high-level text for PhD and postdoctoral researchers. Advanced Molecular Dynamics and Chemical Kinetics offers exceptional, in-depth coverage and includes a complete discussion of the theoretical as well as mathematical presentation of techniques. It features relevant exercises as well as comprehensive coverage of: * Second Quantization * Semiclassical Theory * Quantum Theory of Reaction Rates * Feynman Path Integrals * Wavepacket Propagation and Grid Methods * Photodissociation * Molecular Properties of Solvated Molecules * Quantum Model for Electron Transfer * Electron Transfer Coupling Elements * Proton Transfer Reactions in Solution This is the ideal reference for seasoned professionals in molecular reaction dynamics as well as for younger researchers who may want to enter the field or simply wish to learn more about it. Also available: Introduction to Molecular Dynamics and Chemical Kinetics Gert D. Billing and Kurt V. Mikkelsen


University of Michigan Official Publication

University of Michigan Official Publication

Author: University of Michigan

Publisher: UM Libraries

Published: 1999

Total Pages: 212

ISBN-13:

DOWNLOAD EBOOK

Each number is the catalogue of a specific school or college of the University.


Book Synopsis University of Michigan Official Publication by : University of Michigan

Download or read book University of Michigan Official Publication written by University of Michigan and published by UM Libraries. This book was released on 1999 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt: Each number is the catalogue of a specific school or college of the University.


Nonlinear Dynamics in Complex Systems

Nonlinear Dynamics in Complex Systems

Author: Armin Fuchs

Publisher: Springer Science & Business Media

Published: 2012-09-22

Total Pages: 237

ISBN-13: 3642335527

DOWNLOAD EBOOK

With many areas of science reaching across their boundaries and becoming more and more interdisciplinary, students and researchers in these fields are confronted with techniques and tools not covered by their particular education. Especially in the life- and neurosciences quantitative models based on nonlinear dynamics and complex systems are becoming as frequently implemented as traditional statistical analysis. Unfamiliarity with the terminology and rigorous mathematics may discourage many scientists to adopt these methods for their own work, even though such reluctance in most cases is not justified. This book bridges this gap by introducing the procedures and methods used for analyzing nonlinear dynamical systems. In Part I, the concepts of fixed points, phase space, stability and transitions, among others, are discussed in great detail and implemented on the basis of example elementary systems. Part II is devoted to specific, non-trivial applications: coordination of human limb movement (Haken-Kelso-Bunz model), self-organization and pattern formation in complex systems (Synergetics), and models of dynamical properties of neurons (Hodgkin-Huxley, Fitzhugh-Nagumo and Hindmarsh-Rose). Part III may serve as a refresher and companion of some mathematical basics that have been forgotten or were not covered in basic math courses. Finally, the appendix contains an explicit derivation and basic numerical methods together with some programming examples as well as solutions to the exercises provided at the end of certain chapters. Throughout this book all derivations are as detailed and explicit as possible, and everybody with some knowledge of calculus should be able to extract meaningful guidance follow and apply the methods of nonlinear dynamics to their own work. “This book is a masterful treatment, one might even say a gift, to the interdisciplinary scientist of the future.” “With the authoritative voice of a genuine practitioner, Fuchs is a master teacher of how to handle complex dynamical systems.” “What I find beautiful in this book is its clarity, the clear definition of terms, every step explained simply and systematically.” (J.A.Scott Kelso, excerpts from the foreword)


Book Synopsis Nonlinear Dynamics in Complex Systems by : Armin Fuchs

Download or read book Nonlinear Dynamics in Complex Systems written by Armin Fuchs and published by Springer Science & Business Media. This book was released on 2012-09-22 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: With many areas of science reaching across their boundaries and becoming more and more interdisciplinary, students and researchers in these fields are confronted with techniques and tools not covered by their particular education. Especially in the life- and neurosciences quantitative models based on nonlinear dynamics and complex systems are becoming as frequently implemented as traditional statistical analysis. Unfamiliarity with the terminology and rigorous mathematics may discourage many scientists to adopt these methods for their own work, even though such reluctance in most cases is not justified. This book bridges this gap by introducing the procedures and methods used for analyzing nonlinear dynamical systems. In Part I, the concepts of fixed points, phase space, stability and transitions, among others, are discussed in great detail and implemented on the basis of example elementary systems. Part II is devoted to specific, non-trivial applications: coordination of human limb movement (Haken-Kelso-Bunz model), self-organization and pattern formation in complex systems (Synergetics), and models of dynamical properties of neurons (Hodgkin-Huxley, Fitzhugh-Nagumo and Hindmarsh-Rose). Part III may serve as a refresher and companion of some mathematical basics that have been forgotten or were not covered in basic math courses. Finally, the appendix contains an explicit derivation and basic numerical methods together with some programming examples as well as solutions to the exercises provided at the end of certain chapters. Throughout this book all derivations are as detailed and explicit as possible, and everybody with some knowledge of calculus should be able to extract meaningful guidance follow and apply the methods of nonlinear dynamics to their own work. “This book is a masterful treatment, one might even say a gift, to the interdisciplinary scientist of the future.” “With the authoritative voice of a genuine practitioner, Fuchs is a master teacher of how to handle complex dynamical systems.” “What I find beautiful in this book is its clarity, the clear definition of terms, every step explained simply and systematically.” (J.A.Scott Kelso, excerpts from the foreword)