Atomic Structure Prediction Of Nanostructures Clusters And Surfaces

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Atomic Structure Prediction of Nanostructures, Clusters and Surfaces

Author : Cristian V. Ciobanu
Publisher : John Wiley & Sons
ISBN 13 : 3527655042
Total Pages : 212 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Atomic Structure Prediction of Nanostructures, Clusters and Surfaces by : Cristian V. Ciobanu

Download or read book Atomic Structure Prediction of Nanostructures, Clusters and Surfaces written by Cristian V. Ciobanu and published by John Wiley & Sons. This book was released on 2013-02-14 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work fills the gap for a comprehensive reference conveying the developments in global optimization of atomic structures using genetic algorithms. Over the last few decades, such algorithms based on mimicking the processes of natural evolution have made their way from computer science disciplines to solid states physics and chemistry, where they have demonstrated their versatility and predictive power for many materials. Following an introduction and historical perspective, the text moves on to provide an in-depth description of the algorithm before describing its applications to crystal structure prediction, atomic clusters, surface and interface reconstructions, and quasi one-dimensional nanostructures. The final chapters provide a brief account of other methods for atomic structure optimization and perspectives on the future of the field.

Metal Clusters at Surfaces

Author : Karl-Heinz Meiwes-Broer
Publisher : Springer Science & Business Media
ISBN 13 : 3642571697
Total Pages : 315 pages
Book Rating : 4.6/5 (425 download)

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Book Synopsis Metal Clusters at Surfaces by : Karl-Heinz Meiwes-Broer

Download or read book Metal Clusters at Surfaces written by Karl-Heinz Meiwes-Broer and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 315 pages. Available in PDF, EPUB and Kindle. Book excerpt: Due to the interaction with the contact medium, the properties of clusters may change or even disappear. Thus the physics of cluster-on-surface systems -- the main subject of this book -- is of fundamental importance. The book addresses a wide audience, from the newcomer to the expert. Starting from fundamental concepts of adsorbate-surface interactions, the modification of electronic properties through electron confinement, and concepts of cluster production, it elucidates the distinct properties of the new metallic nanostructures.

Superatoms

Author : Puru Jena
Publisher : John Wiley & Sons
ISBN 13 : 1119619564
Total Pages : 404 pages
Book Rating : 4.1/5 (196 download)

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Book Synopsis Superatoms by : Puru Jena

Download or read book Superatoms written by Puru Jena and published by John Wiley & Sons. This book was released on 2021-11-30 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explore the theory and applications of superatomic clusters and cluster assembled materials Superatoms: Principles, Synthesis and Applications delivers an insightful and exciting exploration of an emerging subfield in cluster science, superatomic clusters and cluster assembled materials. The book presents discussions of the fundamentals of superatom chemistry and their application in catalysis, energy, materials science, and biomedical sciences. Readers will discover the foundational significance of superatoms in science and technology and learn how they can serve as the building blocks of tailored materials, promising to usher in a new era in materials science. The book covers topics as varied as the thermal and thermoelectric properties of cluster-based materials and clusters for CO2 activation and conversion, before concluding with an incisive discussion of trends and directions likely to dominate the subject of superatoms in the coming years. Readers will also benefit from the inclusion of: A thorough introduction to the rational design of superatoms using electron-counting rules Explorations of superhalogens, endohedrally doped superatoms and assemblies, and magnetic superatoms A practical discussion of atomically precise synthesis of chemically modified superatoms A concise treatment of superatoms as the building blocks of 2D materials, as well as superatom-based ferroelectrics and cluster-based materials for energy harvesting and storage Perfect for academic researchers and industrial scientists working in cluster science, energy materials, thermoelectrics, 2D materials, and CO2 conversion, Superatoms: Principles, Synthesis and Applications will also earn a place in the libraries of interested professionals in chemistry, physics, materials science, and nanoscience.

Structure and Properties of Atomic Nanoclusters

Author : Julio A. Alonso
Publisher : World Scientific
ISBN 13 : 1848167342
Total Pages : 492 pages
Book Rating : 4.8/5 (481 download)

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Book Synopsis Structure and Properties of Atomic Nanoclusters by : Julio A. Alonso

Download or read book Structure and Properties of Atomic Nanoclusters written by Julio A. Alonso and published by World Scientific. This book was released on 2012 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic clusters are aggregates of atoms containing a few to several thousand atoms. Due to the small size of these pieces of matter, the properties of atomic clusters in general are different from those of the corresponding material in the macroscopic bulk phase. This monograph presents the main developments of atomic clusters and the current status of the field. The book treats different types of clusters with very different properties: clusters in which the atoms or molecules are tied by weak van der Waals interactions, metallic clusters, clusters of ionic materials, and network clusters made of typical covalent elements. It includes methods of experimental cluster synthesis as well as the structural, electronic, thermodynamic and magnetic properties of clusters, covering both experiments and the theoretical work that has led to our present understanding of the different properties of clusters. The question of assembling nanoclusters to form solids with new properties is also considered. Having an adequate knowledge of the properties of clusters can be of great help to any scientist working with objects of nanometric size. On the other hand, nanoclusters are themselves potentially important in fields like catalysis and nanomedicine.

Soft Computing in Chemical and Physical Sciences

Author : Kanchan Sarkar
Publisher : CRC Press
ISBN 13 : 1351648934
Total Pages : 439 pages
Book Rating : 4.3/5 (516 download)

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Book Synopsis Soft Computing in Chemical and Physical Sciences by : Kanchan Sarkar

Download or read book Soft Computing in Chemical and Physical Sciences written by Kanchan Sarkar and published by CRC Press. This book was released on 2017-11-06 with total page 439 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book can be regarded as 'Soft computing for physicists and chemists self-taught'. It prepares the readers with a solid background of soft computing and how to adapt soft computing techniques to problem solving in physical and chemical research. Soft computing methods have been little explored by researchers in physical and chemical sciences primarily because of the absence of books that bridge the gap between the traditional computing paradigm pursued by researchers in science and the new soft computing paradigm that has emerged in computer science. This book is the interface between these primary sources and researchers in physics and chemistry.

Structure and Properties of Clusters: from a few Atoms to Nanoparticles

Author : George Maroulis
Publisher : CRC Press
ISBN 13 : 9047418603
Total Pages : 213 pages
Book Rating : 4.0/5 (474 download)

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Book Synopsis Structure and Properties of Clusters: from a few Atoms to Nanoparticles by : George Maroulis

Download or read book Structure and Properties of Clusters: from a few Atoms to Nanoparticles written by George Maroulis and published by CRC Press. This book was released on 2006-10-27 with total page 213 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume on Clusters brings together contributions from a large number of specialists. A central element for all contributions is the use of advanced computational methodologies and their application to various aspects of structure, reactivity and properties of clusters. The size of clusters varies from a few atoms to nanoparticles.

Advanced Topics in Contemporary Physics for Engineering

Author : Rui F. M. Lobo
Publisher : CRC Press
ISBN 13 : 1000829537
Total Pages : 371 pages
Book Rating : 4.0/5 (8 download)

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Book Synopsis Advanced Topics in Contemporary Physics for Engineering by : Rui F. M. Lobo

Download or read book Advanced Topics in Contemporary Physics for Engineering written by Rui F. M. Lobo and published by CRC Press. This book was released on 2022-12-21 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights cutting-edge topics in contemporary physics, discussing exciting advances and new forms of thinking in evolving fields with emphases both on natural phenomena and applications to modern engineering. It provides material for thought and practice in nanophysics, plasma physics, and electrodynamics. Nanophysics and plasmas are synergic physical areas where the whole is more than the sum of the parts (quantum, atomic and molecular, electrodynamics, photonics, condensed matter, thermodynamics, transport phenomena). The authors emphasize both fundamentals and more complex concepts, making the contents accessible as well challenging. Nanoscale properties and physical phenomena are explained under the umbrella of quantum physics. Advances made in the physical knowledge of the nanoworld, and its metrology are addressed, along with experimental achievements which have furthered studies of extreme weak forces present at nano- or sub-micron scales. The book does not focus in detail on the diversity of applications in nanotechnology and instrumentation, considering that the reader already has basic prior knowledge on that. It also covers an introduction to plasma universe phenomenology, the basics of advanced mathematics applied to the electromagnetic field, longitudinal forces in the vacuum, concepts of helicity and topological torsion, SU(2) representation of Maxwell equations, 2D representation of the electromagnetic field, the use of the fractional derivative, and ergontropic dynamics. The chapters include theory, applications, bibliographic references, and solved exercises. The synergies of the book’s topics demonstrate their potential in critical issues, such as relieving humans from barriers imposed by energetic and entropic dependencies and penetrating the realm of weak forces at the nanoscale. The book will boost both post-graduate students and mature scientists to implement new scientific and technological projects.

Machine Learning Meets Quantum Physics

Author : Kristof T. Schütt
Publisher : Springer Nature
ISBN 13 : 3030402452
Total Pages : 473 pages
Book Rating : 4.0/5 (34 download)

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Book Synopsis Machine Learning Meets Quantum Physics by : Kristof T. Schütt

Download or read book Machine Learning Meets Quantum Physics written by Kristof T. Schütt and published by Springer Nature. This book was released on 2020-06-03 with total page 473 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designing molecules and materials with desired properties is an important prerequisite for advancing technology in our modern societies. This requires both the ability to calculate accurate microscopic properties, such as energies, forces and electrostatic multipoles of specific configurations, as well as efficient sampling of potential energy surfaces to obtain corresponding macroscopic properties. Tools that can provide this are accurate first-principles calculations rooted in quantum mechanics, and statistical mechanics, respectively. Unfortunately, they come at a high computational cost that prohibits calculations for large systems and long time-scales, thus presenting a severe bottleneck both for searching the vast chemical compound space and the stupendously many dynamical configurations that a molecule can assume. To overcome this challenge, recently there have been increased efforts to accelerate quantum simulations with machine learning (ML). This emerging interdisciplinary community encompasses chemists, material scientists, physicists, mathematicians and computer scientists, joining forces to contribute to the exciting hot topic of progressing machine learning and AI for molecules and materials. The book that has emerged from a series of workshops provides a snapshot of this rapidly developing field. It contains tutorial material explaining the relevant foundations needed in chemistry, physics as well as machine learning to give an easy starting point for interested readers. In addition, a number of research papers defining the current state-of-the-art are included. The book has five parts (Fundamentals, Incorporating Prior Knowledge, Deep Learning of Atomistic Representations, Atomistic Simulations and Discovery and Design), each prefaced by editorial commentary that puts the respective parts into a broader scientific context.

Handbook of Mechanical Nanostructuring

Author : Mahmood Aliofkhazraei
Publisher : John Wiley & Sons
ISBN 13 : 3527674969
Total Pages : 816 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Handbook of Mechanical Nanostructuring by : Mahmood Aliofkhazraei

Download or read book Handbook of Mechanical Nanostructuring written by Mahmood Aliofkhazraei and published by John Wiley & Sons. This book was released on 2016-05-02 with total page 816 pages. Available in PDF, EPUB and Kindle. Book excerpt: Providing in-depth information on how to obtain high-performance materials by controlling their nanostructures, this ready reference covers both the bottom-up and the top-down approaches to the synthesis and processing of nanostructured materials. The focus is on advanced methods of mechanical nanostructuring such as severe plastic deformation, including high pressure torsion, equal channel angular processing, cyclic extrusion compression, accumulative roll bonding, and surface mechanical attrition treatment. As such, the contents are inherently application-oriented, with the methods presented able to be easily integrated into existing production processes. In addition, the structure-property relationships and ways of influencing the nanostructure in order to exhibit a desired functionality are reviewed in detail. The whole is rounded off by a look at future directions, followed by an overview of applications in various fields of structural and mechanical engineering. With its solutions for successful processing of complex-shaped workpieces and large-scale specimens with desired properties, this is an indispensable tool for purposeful materials design.

Atomically Precise Nanoclusters

Author : Rongchao Jin
Publisher : CRC Press
ISBN 13 : 1000246396
Total Pages : 346 pages
Book Rating : 4.0/5 (2 download)

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Book Synopsis Atomically Precise Nanoclusters by : Rongchao Jin

Download or read book Atomically Precise Nanoclusters written by Rongchao Jin and published by CRC Press. This book was released on 2021-05-30 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: The primary goal of nanotechnology is to achieve nanoscale materials and devices with atomic precision. Toward this goal, breakthroughs have recently been made in the solution-phase synthesis and applications of atomically precise nanoclusters. This book presents the exciting progress in this new research field. The chapters are contributed by leading experts of the field and cover the synthetic methods, atomic structures, electronic and optical properties, and catalytic applications of noble metal nanoclusters. Such new nanocluster materials offer exciting opportunities for chemists and physicists to understand the fundamental science of nanoclusters, especially the atomic-level structure–property correlation and design of new materials, as well as for developing a range of applications including catalysis, biomedicine, sensing, imaging, optics, and energy conversion. The book will be of interest to readers and researchers in nanotechnology, nanochemistry, catalysis, and computational chemistry, as well as practitioners in industry R&D for new materials. It is written to be accessible to undergraduate and graduate students and, therefore, is an excellent teaching material.

Quantum Phenomena in Clusters and Nanostructures

Author : Shiv N. Khanna
Publisher : Nelson Thornes
ISBN 13 : 9783540000150
Total Pages : 288 pages
Book Rating : 4.0/5 (1 download)

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Book Synopsis Quantum Phenomena in Clusters and Nanostructures by : Shiv N. Khanna

Download or read book Quantum Phenomena in Clusters and Nanostructures written by Shiv N. Khanna and published by Nelson Thornes. This book was released on 2003-04-08 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clusters and nanoscale materials give rise to properties and behaviour that are governed by size restrictions, and hence display features directly attributable to quantum confinement. Thus they represent ideal media for observing and studying quantum phenomena. This book presents and evaluates some of the latest developments in this area of basic research. Each of the chapters focuses on selected aspects of the field, and the authors endeavour to display the breadth of the subject by presenting some of the important recent advances that have been made through the use of new experimental techniques and theoretical approaches.

Computational Materials Science

Author :
Publisher : Elsevier
ISBN 13 : 0080529631
Total Pages : 474 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Computational Materials Science by :

Download or read book Computational Materials Science written by and published by Elsevier. This book was released on 2004-03-19 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational tools have been permanently deposited into the toolbox of theoretical chemists. The impact of new computational tools can hardly be overestimated, and their presence in research and applications is overwhelming. Theoretical methods such as quantum mechanics, molecular dynamics, and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs, and chemicals. This volume on Computational Material Sciences covers selected examples of notable applications of computational techniques to material science. The chapters contained in this volume include discussions of the phenomenon of chaos in chemistry, reaction network analysis, and mechanisms of formation of clusters. Details of more practical applications are also included in the form of reviews of computational design of new materials and the prediction of properties and structures of well known molecular assemblies. Current developments of effective computational methods, which will help in understanding, predicting, and optimizing periodic systems, nanostructures, clusters and model surfaces are also covered in this volume. Reviews of current computational methods applied in material science Reviews of practical applications of modelling of structures and properties of materials Cluster and periodical approaches

In-vitro Materials Design

Author : Roman Leitsmann
Publisher : John Wiley & Sons
ISBN 13 : 3527667377
Total Pages : 234 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis In-vitro Materials Design by : Roman Leitsmann

Download or read book In-vitro Materials Design written by Roman Leitsmann and published by John Wiley & Sons. This book was released on 2015-05-07 with total page 234 pages. Available in PDF, EPUB and Kindle. Book excerpt: An overview of the latest computational materials science methods on an atomic scale. The authors present the physical and mathematical background in sufficient detail for this highly current and important topic, but without unnecessary complications. They focus on approaches with industrial relevance, covering real-life applications taken from concrete projects that range from tribology modeling to performance optimization of integrated circuits. Following an introduction to the fundamentals, the book describes the most relevant approaches, covering such classical simulation methods as simple and reactive force field methods, as well as highly accurate quantum-mechanical methods ranging from density-functional theory to Hartree-Fock and beyond. A review of the increasingly important multiscale approaches rounds off this section. The last section demonstrates and illustrates the capabilities of the methods previously described using recent real-life examples of industrial applications. As a result, readers gain a heightened user awareness, since the authors clearly state the conditions of applicability for the respective modeling methods so as to avoid fatal mistakes.

Nanoalloys

Author : Florent Calvo
Publisher : Newnes
ISBN 13 : 0123946166
Total Pages : 432 pages
Book Rating : 4.1/5 (239 download)

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Book Synopsis Nanoalloys by : Florent Calvo

Download or read book Nanoalloys written by Florent Calvo and published by Newnes. This book was released on 2013-03-12 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoalloys: From Fundamentals to Emergent Applications presents and discusses the major topics related to nanoalloys at a time when the literature on the subject remains scarce. Particular attention is paid to experimental and theoretical aspects under the form of broad reviews covering the most recent developments. The book is organized into 11 chapters covering the most fundamental aspects of nanoalloys related to their synthesis and characterization, as well as their theoretical study. Aspects related to their thermodynamics and kinetics are covered as well. The coverage then moves to more specific topics, including optics, magnetism and catalysis, and finally to biomedical applications and the technologically relevant issue of self-assembly. With no current single reference source on the subject, the work is invaluable for researchers as the nanoscience field moves swiftly to full monetization. Encapsulates physical science of structure, properties, size, composition and ordering at nanoscale, aiding synthesis of experimentation and modelling Multi-expert and interdisciplinary perspectives on growth, synthesis and characterization of bimetallic clusters and particulates supports expansion of your current research activity into applications Synthesizes concepts and draws links between fundamental metallurgy and cutting edge nanoscience, aiding interdisciplinary research activity

Computational Modelling of Nanoparticles

Author : Stefan T. Bromley
Publisher : Elsevier
ISBN 13 : 0081022751
Total Pages : 351 pages
Book Rating : 4.0/5 (81 download)

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Book Synopsis Computational Modelling of Nanoparticles by : Stefan T. Bromley

Download or read book Computational Modelling of Nanoparticles written by Stefan T. Bromley and published by Elsevier. This book was released on 2018-09-12 with total page 351 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties. This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research. Explores how computational modelling can be successfully applied at the nanoscale level Includes techniques for the computation modelling of different types of nanoclusters, including nanoalloy clusters, fullerines and Ligated and/or solvated nanoclusters Offers complete coverage of the use of computational modelling at the nanoscale, from characterization and processing, to applications

Bimetallic Nanostructures

Author : Ya-Wen Zhang
Publisher : John Wiley & Sons
ISBN 13 : 1119214637
Total Pages : 528 pages
Book Rating : 4.1/5 (192 download)

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Book Synopsis Bimetallic Nanostructures by : Ya-Wen Zhang

Download or read book Bimetallic Nanostructures written by Ya-Wen Zhang and published by John Wiley & Sons. This book was released on 2018-05-14 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: Systematically summarizes the current status and recent advances in bimetallic structures, their shape-controlled synthesis, properties, and applications Intensive researches are currently being carried out on bimetallic nanostructures, focusing on a number of fundamental, physical, and chemical questions regarding their synthesis and properties. This book presents a systematic and comprehensive summary of the current status and recent advances in this field, supporting readers in the synthesis of model bimetallic nanoparticles, and the exploration and interpretation of their properties. Bimetallic Nanostructures: Shape-Controlled Synthesis for Catalysis, Plasmonics and Sensing Applications is divided into three parts. Part 1 introduces basic chemical and physical knowledge of bimetallic structures, including fundamentals, computational models, and in situ characterization techniques. Part 2 summarizes recent developments in synthetic methods, characterization, and properties of bimetallic structures from the perspective of morphology effect, including zero-dimensional nanomaterials, one-dimensional nanomaterials, and two-dimensional nanomaterials. Part 3 discusses applications in electrocatalysis, heterogeneous catalysis, plasmonics and sensing. Comprehensive reference for an important multidisciplinary research field Thoroughly summarizes the present state and latest developments in bimetallic structures Helps researchers find optimal synthetic methods and explore new phenomena in surface science and synthetic chemistry of bimetallic nanostructures Bimetallic Nanostructures: Shape-Controlled Synthesis for Catalysis, Plasmonics and Sensing Applications is an excellent source or reference for researchers and advanced students. Academic researchers in nanoscience, nanocatalysis, and surface plasmonics, and those working in industry in areas involving nanotechnology, catalysis and optoelectronics, will find this book of interest.

Nanoclusters

Author : Purusottam Jena
Publisher : Elsevier
ISBN 13 : 0444534407
Total Pages : 594 pages
Book Rating : 4.4/5 (445 download)

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Book Synopsis Nanoclusters by : Purusottam Jena

Download or read book Nanoclusters written by Purusottam Jena and published by Elsevier. This book was released on 2011-02-08 with total page 594 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive book on Nanoclusters comprises sixteen authoritative chapters written by leading researchers in the field. It provides insight into topics that are currently at the cutting edge of cluster science, with the main focus on metal and metal compound systems that are of particular interest in materials science, and also on aspects related to biology and medicine. While there are numerous books on clusters, the focus on clusters as a bridge across disciplines sets this book apart from others. Delivers cutting edge coverage of cluster science Covers a broad range of topics in physics, chemistry, and materials science Written by leading researchers in the field