energy landscapes applications to clusters biomolecules and glasses cambridge molecular science

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Energy Landscapes

Author : David Wales
ISBN : 0521814154
Genre : Science
File Size : 53. 25 MB
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The study of energy landscapes holds the key to resolving some of the most important contemporary problems in chemical physics. Many groups are now attempting to understand the properties of clusters, glasses and proteins in terms of the underlying potential energy surface. The aim of this book is to define and unify the field of energy landscapes in a reasonably self-contained exposition. This is the first book to cover this active field. The book begins with an overview of each area in an attempt to make the subject matter accessible to workers in different disciplines. The basic theoretical groundwork for describing and exploring energy landscapes is then introduced followed by applications to clusters, biomolecules and glasses in the final chapters. Beautifully illustrated in full colour throughout, this book is aimed at graduate students and workers in the field.

Renormalization Methods

Author : W. D. McComb
ISBN : 9780198506942
Genre : Business & Economics
File Size : 77. 78 MB
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This text fills a gap between undergraduate and more advanced texts on quantum field theory. It covers a range of renormalization methods with a clear physical interpretation, proceeds to the epsilon-expansion and ends with the first-order corrections to critical exponents beyond mean-field theory.

Computational Methods To Study The Structure And Dynamics Of Biomolecules And Biomolecular Processes

Author : Adam Liwo
ISBN : 9783642285547
Genre : Computers
File Size : 24. 69 MB
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Since the second half of the 20th century machine computations have played a critical role in science and engineering. Computer-based techniques have become especially important in molecular biology, since they often represent the only viable way to gain insights into the behavior of a biological system as a whole. The complexity of biological systems, which usually needs to be analyzed on different time- and size-scales and with different levels of accuracy, requires the application of different approaches, ranging from comparative analysis of sequences and structural databases, to the analysis of networks of interdependence between cell components and processes, through coarse-grained modeling to atomically detailed simulations, and finally to molecular quantum mechanics. This book provides a comprehensive overview of modern computer-based techniques for computing the structure, properties and dynamics of biomolecules and biomolecular processes. The twenty-two chapters, written by scientists from all over the world, address the theory and practice of computer simulation techniques in the study of biological phenomena. The chapters are grouped into four thematic sections dealing with the following topics: the methodology of molecular simulations; applications of molecular simulations; bioinformatics methods and use of experimental information in molecular simulations; and selected applications of molecular quantum mechanics. The book includes an introductory chapter written by Harold A. Scheraga, one of the true pioneers in simulation studies of biomacromolecules.

Intermetallics

Author : Walter Steurer
ISBN : 9780191023927
Genre : Science
File Size : 37. 2 MB
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The fascinating world of intermetallics is largely unexplored. There are many exciting physical properties and important technological applications of intermetallics, from magnetism to superconductivity. The main focus of this book is on the statistics, topology and geometry of crystal structures and structure types of intermetallic phases. The underlying physics, in particular chemical bonding, is discussed whenever it helps understand the stability of structures and the origin of their physical properties. The authors' approach, based on the statistical analysis of more than twenty thousand intermetallic compounds in the data base Pearson's Crystal Data, uncovers important structural relationships and illustrates the relative simplicity of most of the general structural building principles. It also shows that a large variety of actual structures can be related to a rather small number of aristotypes. The text aims to be readable and beneficial in one way or another to everyone interested in intermetallic phases, from graduate students to experts in solid state chemistry and physics, and materials science. For that purpose it avoids the use of enigmatic abstract terminology for the classification of structures. Instead, it focuses on the statistical analysis of crystal structures and structure types in order to draw together a larger overview of intermetallics, and indicate the gaps in it - areas still to be explored, and potential sources of worthwhile research. The text should be read as a reference guide to the incredibly rich world of intermetallic phases.

Underpotential Deposition

Author : Oscar Alejandro Oviedo
ISBN : 9783319243948
Genre : Science
File Size : 35. 5 MB
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With this volume, Ezequiel P. M. Leiva and co-authors fill a gap in the available literature, by providing a much-needed, comprehensive review of the relevant literature for electrochemists, materials scientists and energy researchers. For the first time, they present applications of underpotential deposition (UPD) on the nanoscale, such as nanoparticles and nanocavities, as well as for electrocatalysis. They also discuss real surface determinations and layer-by-layer growth of ultrathin films, as well as the very latest modeling approaches to UPD based on nanothermodynamics, statistical mechanics, molecular dynamics and Monte-Carlo simulations.

A Guide To Monte Carlo Simulations In Statistical Physics

Author : David P. Landau
ISBN : 9781316062630
Genre : Science
File Size : 76. 11 MB
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Dealing with all aspects of Monte Carlo simulation of complex physical systems encountered in condensed-matter physics and statistical mechanics, this book provides an introduction to computer simulations in physics. This fourth edition contains extensive new material describing numerous powerful algorithms not covered in previous editions, in some cases representing new developments that have only recently appeared. Older methodologies whose impact was previously unclear or unappreciated are also introduced, in addition to many small revisions that bring the text and cited literature up to date. This edition also introduces the use of petascale computing facilities in the Monte Carlo arena. Throughout the book there are many applications, examples, recipes, case studies, and exercises to help the reader understand the material. It is ideal for graduate students and researchers, both in academia and industry, who want to learn techniques that have become a third tool of physical science, complementing experiment and analytical theory.

Hierarchical Methods For Dynamics In Complex Molecular Systems

Author : Johannes Grotendorst
ISBN : 9783893367689
Genre :
File Size : 70. 2 MB
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Nanoalloys

Author : Damien Alloyeau
ISBN : 9781447140146
Genre : Technology & Engineering
File Size : 21. 93 MB
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Bimetallic nanoparticles, also called nanoalloys, are at the heart of nanoscience because of their ability to tune together composition and size for specific purposes. By approaching both their physical and chemical properties, Nanoalloys: Synthesis, Structure & Properties provides a comprehensive reference to this research field in nanoscience by addressing the subject from both experimental and theoretical points of view, providing chapters across three main topics: Growth and structural properties Thermodynamics and electronic structure of nanoalloys Magnetic, optic and catalytic properties The growth and elaboration processes which are the necessary and crucial part of any experimental approach are detailed in the first chapter. Three chapters are focused on the widely used characterization techniques sensitive to both the structural arrangements and chemistry of nanoalloys. The electronic structure of nanoalloys is described as a guide of useful concepts and theoretical tools. Chapters covering thermodynamics begin with bulk alloys, going to nanoalloys via surfaces in order to describe chemical order/disorder, segregation and phase transitions in reduced dimension. Finally, the optical, magnetic and catalytic properties are discussed by focusing on nanoparticles formed with one element to track the modifications which occur when forming nanoalloys. The range and detail of Nanoalloys: Synthesis, Structure & Properties makes it an ideal resource for postgraduates and researchers working in the field of nanoscience looking to expand and support their knowledge of nanoalloys.

Physics In Molecular Biology

Author : Kim Sneppen
ISBN : 0521844193
Genre : Science
File Size : 41. 42 MB
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This book, first published in 2005, is a discussion for advanced physics students of how to use physics to model biological systems.

Microcluster Physics

Author : Satoru Sugano
ISBN : 9783642589263
Genre : Science
File Size : 29. 16 MB
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A lucid account of the fundamental physics of all types of microclusters, outlining the dynamics and static properties of this new phase of matter between a solid and a molecule. Since the book's first publication, the field of microclusters has experienced surprising developments, which are reviewed in this new edition: The determination of atomic structure, spontaneous alloying, super-shell, fission, fragmentation, evaporation, magnetism, fullerenes, nanotubes, atomic structure of large silicon clusters, superfluidity of a He cluster, water clusters in liquid, electron correlation and optimizsation of the geometry, and scattering.

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