Download or read book Molecular Dynamics of Nanostructures and Nanoionics written by Junko Habasaki and published by CRC Press. This book was released on 2020-11-30 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanostructured materials with multiple components and complex structures are the current focus of research and are expected to develop further for material designs in many applications in electrochemical, colloidal, medical, pharmaceutical, and several other fields. This book discusses complex nanostructured systems exemplified by nanoporous silicates, spontaneously formed gels from silica-nanocolloidal solutions, and related systems, and examines them using molecular dynamics simulations. Nanoporous materials, nanocolloidal systems, and gels are useful in many applications and can be used in electric devices and storage, and for gas, ion, and drug delivery. The book gives an overview of the history, current status, and frontiers of the field. It also discusses the fundamental aspects related to the common behaviors of some of these systems and common analytical methods to treat them.
Download or read book Molecular Dynamics written by Perla Balbuena and published by Elsevier. This book was released on 1999-04-22 with total page 971 pages. Available in PDF, EPUB and Kindle. Book excerpt: The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).Features of this book:• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers• Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
Download or read book Dynamical Heterogeneities in Glasses Colloids and Granular Media written by Ludovic Berthier and published by OUP Oxford. This book was released on 2011-07-14 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: Most of the solid materials we use in everyday life, from plastics to cosmetic gels exist under a non-crystalline, amorphous form: they are glasses. Yet, we are still seeking a fundamental explanation as to what glasses really are and to why they form. In this book, we survey the most recent theoretical and experimental research dealing with glassy physics, from molecular to colloidal glasses and granular media. Leading experts in this field present broad and original perspectives on one of the deepest mysteries of condensed matter physics, with an emphasis on the key role played by heterogeneities in the dynamics of glassiness.
Download or read book Metastability and Markov State Models in Molecular Dynamics written by Christof Schütte and published by American Mathematical Soc.. This book was released on 2013-12-26 with total page 141 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications in modern biotechnology and molecular medicine often require simulation of biomolecular systems in atomic representation with immense length and timescales that are far beyond the capacity of computer power currently available. As a consequence, there is an increasing need for reduced models that describe the relevant dynamical properties while at the same time being less complex. In this book the authors exploit the existence of metastable sets for constructing such a reduced molecular dynamics model, the so-called Markov state model (MSM), with good approximation properties on the long timescales. With its many examples and illustrations, this book is addressed to graduate students, mathematicians, and practical computational scientists wanting an overview of the mathematical background for the ever-increasing research activity on how to construct MSMs for very different molecular systems ranging from peptides to proteins, from RNA to DNA, and via molecular sensors to molecular aggregation. This book bridges the gap between mathematical research on molecular dynamics and its practical use for realistic molecular systems by providing readers with tools for performing in-depth analysis of simulation and data-analysis methods. Titles in this series are co-published with the Courant Institute of Mathematical Sciences at New York University.
Download or read book A Simulation Study of Dynamic Heterogeneity in a Supercooled Lennard jones Liquid written by Richard S. L. Stein and published by . This book was released on 2007 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Free Energy Calculations written by Christophe Chipot and published by Springer Science & Business Media. This book was released on 2007-01-08 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.
Download or read book The Monte Carlo Method in Condensed Matter Physics written by Kurt Binder and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Monte Carlo method is now widely used and commonly accepted as an important and useful tool in solid state physics and related fields. It is broadly recognized that the technique of "computer simulation" is complementary to both analytical theory and experiment, and can significantly contribute to ad vancing the understanding of various scientific problems. Widespread applications of the Monte Carlo method to various fields of the statistical mechanics of condensed matter physics have already been reviewed in two previously published books, namely Monte Carlo Methods in Statistical Physics (Topics Curro Phys. , Vol. 7, 1st edn. 1979, 2ndedn. 1986) and Applications of the Monte Carlo Method in Statistical Physics (Topics Curro Phys. , Vol. 36, 1st edn. 1984, 2nd edn. 1987). Meanwhile the field has continued its rapid growth and expansion, and applications to new fields have appeared that were not treated at all in the above two books (e. g. studies of irreversible growth phenomena, cellular automata, interfaces, and quantum problems on lattices). Also, new methodic aspects have emerged, such as aspects of efficient use of vector com puters or parallel computers, more efficient analysis of simulated systems con figurations, and methods to reduce critical slowing down at i>hase transitions. Taken together with the extensive activity in certain traditional areas of research (simulation of classical and quantum fluids, of macromolecular materials, of spin glasses and quadrupolar glasses, etc.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1994 with total page 716 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Reviews in Chemistry written by Omotayo Ademola Arotiba and published by Frontiers Media SA. This book was released on 2024-01-03 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nuclear Magnetic Resonance written by G. A. Webb and published by Royal Society of Chemistry. This book was released on 2005 with total page 620 pages. Available in PDF, EPUB and Kindle. Book excerpt: For those wanting to become rapidly acquainted with specific areas of NMR, this title provides unrivalled scope of coverage.
Download or read book Dynamical Heterogeneities in Glasses Colloids and Granular Media written by Ludovic Berthier and published by Oxford University Press. This book was released on 2011-07-14 with total page 465 pages. Available in PDF, EPUB and Kindle. Book excerpt: Most everyday solid materials, from plastics to cosmetic gels, exist in a non-crystalline, amorphous form: they are glasses. Yet we are still seeking an explanation as to what glasses really are and to why they form. In this book, leading experts present broad and original perspectives on one of the deepest mysteries of condensed matter physics.
Download or read book Photonics of Biopolymers written by Nikolai L. Vekshin and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: Photonics of biopolymers discusses the processes of energy transformation in photoexcited proteins, nucleic acids, membranes and model systems. The author addresses, among other topics: Light absorption, screening and reabsorption; photometric studies of protein; energy transfer mechanics; fluorescent probes; photomodulation of enzymes, and photoactiviation. Much of the information stems from the author's own wide experience in the field.
Download or read book Handbook of Multiphase Polymer Systems written by Abderrahim Boudenne and published by John Wiley & Sons. This book was released on 2011-06-09 with total page 1322 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiphase polymeric systems include a wide range of materials such as composites, blends, alloys, gels, and interpenetrating polymer networks (IPNs). A one-stop reference on multiphase polymer systems, this book fully covers the preparation, properties, and applications of advanced multiphase systems from macro to nano scales. Edited by well-respected academics in the field of multiphase polymer systems, the book includes contributions from leading international experts. An essential resource for plastic and rubber technologists, filler specialists and researchers in fields studying thermal and electrical properties.
Download or read book An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation written by Gregory R. Bowman and published by Springer Science & Business Media. This book was released on 2013-12-02 with total page 148 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book volume is to explain the importance of Markov state models to molecular simulation, how they work, and how they can be applied to a range of problems. The Markov state model (MSM) approach aims to address two key challenges of molecular simulation: 1) How to reach long timescales using short simulations of detailed molecular models. 2) How to systematically gain insight from the resulting sea of data. MSMs do this by providing a compact representation of the vast conformational space available to biomolecules by decomposing it into states sets of rapidly interconverting conformations and the rates of transitioning between states. This kinetic definition allows one to easily vary the temporal and spatial resolution of an MSM from high-resolution models capable of quantitative agreement with (or prediction of) experiment to low-resolution models that facilitate understanding. Additionally, MSMs facilitate the calculation of quantities that are difficult to obtain from more direct MD analyses, such as the ensemble of transition pathways. This book introduces the mathematical foundations of Markov models, how they can be used to analyze simulations and drive efficient simulations, and some of the insights these models have yielded in a variety of applications of molecular simulation.
Download or read book Cell Signaling Reactions written by Yasushi Sako and published by Springer Science & Business Media. This book was released on 2010-11-04 with total page 335 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book encompasses the exciting developments and challenges in the fast-moving and rapidly expanding research field of single-molecule kinetic analysis of cell signaling that promises to be one of the most significant and exciting areas of biological research for the foreseeable future. Cell signaling is carried out by complicated reaction networks of macromolecules, and single-molecule analyses has already demonstrated its power to unravel complex reaction dynamics in purified systems. To date, most of the published research in the field of single-molecule processes in cells, focus on the dynamic properties (translational movements of the centre of mass) of biological molecules. However, we hope that this book presents as many kinetic analyses of cell signaling as possible. Although single-molecule kinetic analysis of cellular systems is a relatively young field when compared with the analysis of single-molecule movements in cells, this type of analysis is highly important because it directly relates to the molecular functions that control cellular behavior and in the future, single-molecule kinetic analysis will be largely directed towards cellular systems. Thus, we hope that this book will be of interest to all those working in the fields of molecular and cell biology, as well as biophysics and biochemistry.
Download or read book Nuclear Magnetic Resonance Volume 47 written by Paul Hodgkinson and published by Royal Society of Chemistry. This book was released on 2021-11-29 with total page 299 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of nuclear magnetic resonance span a wide range of scientific disciplines, from physics to medicine. For those wanting to become acquainted with NMR or seasoned practitioners, this is a valuable source of current methods and applications.
Download or read book Relaxation and Diffusion in Complex Systems written by K.L. Ngai and published by Springer Science & Business Media. This book was released on 2011-03-25 with total page 853 pages. Available in PDF, EPUB and Kindle. Book excerpt: The usefulness of the book to the reader is exposure to many different classes of materials and relaxation phenomena. They are tied together by the universal relaxation and diffusion properties they share, and a consistent explanation of their origin. The readers can apply what they learn to solve their own problems and use it as a stepping-stone to make further advances in theoretical understanding of the origin of the universality.
