Statistical Mechanics: Theory and Molecular Simulation PDF Download
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Author: Mark Tuckerman
Publisher: OUP Oxford
ISBN: 0191523461
Category : Science
Languages : en
Pages : 719
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Book Description
Complex systems that bridge the traditional disciplines of physics, chemistry, biology, and materials science can be studied at an unprecedented level of detail using increasingly sophisticated theoretical methodology and high-speed computers. The aim of this book is to prepare burgeoning users and developers to become active participants in this exciting and rapidly advancing research area by uniting for the first time, in one monograph, the basic concepts of equilibrium and time-dependent statistical mechanics with the modern techniques used to solve the complex problems that arise in real-world applications. The book contains a detailed review of classical and quantum mechanics, in-depth discussions of the most commonly used ensembles simultaneously with modern computational techniques such as molecular dynamics and Monte Carlo, and important topics including free-energy calculations, linear-response theory, harmonic baths and the generalized Langevin equation, critical phenomena, and advanced conformational sampling methods. Burgeoning users and developers are thus provided firm grounding to become active participants in this exciting and rapidly advancing research area, while experienced practitioners will find the book to be a useful reference tool for the field.
Author: Mark Tuckerman
Publisher: OUP Oxford
ISBN: 0191523461
Category : Science
Languages : en
Pages : 719
Get Book Here
Book Description
Complex systems that bridge the traditional disciplines of physics, chemistry, biology, and materials science can be studied at an unprecedented level of detail using increasingly sophisticated theoretical methodology and high-speed computers. The aim of this book is to prepare burgeoning users and developers to become active participants in this exciting and rapidly advancing research area by uniting for the first time, in one monograph, the basic concepts of equilibrium and time-dependent statistical mechanics with the modern techniques used to solve the complex problems that arise in real-world applications. The book contains a detailed review of classical and quantum mechanics, in-depth discussions of the most commonly used ensembles simultaneously with modern computational techniques such as molecular dynamics and Monte Carlo, and important topics including free-energy calculations, linear-response theory, harmonic baths and the generalized Langevin equation, critical phenomena, and advanced conformational sampling methods. Burgeoning users and developers are thus provided firm grounding to become active participants in this exciting and rapidly advancing research area, while experienced practitioners will find the book to be a useful reference tool for the field.
Author: Ken Dill
Publisher: Garland Science
ISBN: 1136672990
Category : Science
Languages : en
Pages : 778
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Book Description
Molecular Driving Forces, Second Edition E-book is an introductory statistical thermodynamics text that describes the principles and forces that drive chemical and biological processes. It demonstrates how the complex behaviors of molecules can result from a few simple physical processes, and how simple models provide surprisingly accurate insights into the workings of the molecular world. Widely adopted in its First Edition, Molecular Driving Forces is regarded by teachers and students as an accessible textbook that illuminates underlying principles and concepts. The Second Edition includes two brand new chapters: (1) "Microscopic Dynamics" introduces single molecule experiments; and (2) "Molecular Machines" considers how nanoscale machines and engines work. "The Logic of Thermodynamics" has been expanded to its own chapter and now covers heat, work, processes, pathways, and cycles. New practical applications, examples, and end-of-chapter questions are integrated throughout the revised and updated text, exploring topics in biology, environmental and energy science, and nanotechnology. Written in a clear and reader-friendly style, the book provides an excellent introduction to the subject for novices while remaining a valuable resource for experts.
Author: Stanley I. Sandler
Publisher: John Wiley & Sons
ISBN: 0470913479
Category : Science
Languages : en
Pages : 370
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Book Description
One of the goals of An Introduction to Applied Statistical Thermodynamics is to introduce readers to the fundamental ideas and engineering uses of statistical thermodynamics, and the equilibrium part of the statistical mechanics. This text emphasises on nano and bio technologies, molecular level descriptions and understandings offered by statistical mechanics. It provides an introduction to the simplest forms of Monte Carlo and molecular dynamics simulation (albeit only for simple spherical molecules) and user-friendly MATLAB programs for doing such simulations, and also some other calculations. The purpose of this text is to provide a readable introduction to statistical thermodynamics, show its utility and the way the results obtained lead to useful generalisations for practical application. The text also illustrates the difficulties that arise in the statistical thermodynamics of dense fluids as seen in the discussion of liquids.
Author: Frederick Richard Wayne McCourt
Publisher: Springer Nature
ISBN: 3030520064
Category : Science
Languages : en
Pages : 691
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Book Description
This textbook concerns thermal properties of bulk matter and is aimed at advanced undergraduate or first-year graduate students in a range of programs in science or engineering. It provides an intermediate level presentation of statistical thermodynamics for students in the physical sciences (chemistry, nanosciences, physics) or related areas of applied science/engineering (chemical engineering, materials science, nanotechnology engineering), as they are areas in which statistical mechanical concepts play important roles. The book enables students to utilize microscopic concepts to achieve a better understanding of macroscopic phenomena and to be able to apply these concepts to the types of sub-macroscopic systems encountered in areas of nanoscience and nanotechnology.
Author: R.K. Pathria
Publisher: Elsevier
ISBN: 1483186881
Category : Science
Languages : en
Pages : 542
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Book Description
Statistical Mechanics discusses the fundamental concepts involved in understanding the physical properties of matter in bulk on the basis of the dynamical behavior of its microscopic constituents. The book emphasizes the equilibrium states of physical systems. The text first details the statistical basis of thermodynamics, and then proceeds to discussing the elements of ensemble theory. The next two chapters cover the canonical and grand canonical ensemble. Chapter 5 deals with the formulation of quantum statistics, while Chapter 6 talks about the theory of simple gases. Chapters 7 and 8 examine the ideal Bose and Fermi systems. In the next three chapters, the book covers the statistical mechanics of interacting systems, which includes the method of cluster expansions, pseudopotentials, and quantized fields. Chapter 12 discusses the theory of phase transitions, while Chapter 13 discusses fluctuations. The book will be of great use to researchers and practitioners from wide array of disciplines, such as physics, chemistry, and engineering.
Author: Norman Davidson
Publisher: Courier Corporation
ISBN: 0486160939
Category : Science
Languages : en
Pages : 564
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Book Description
Sufficiently rigorous for introductory or intermediate graduate courses, this text offers a comprehensive treatment of the techniques and limitations of statistical mechanics. 82 figures. 15 tables. 1962 edition.
Author: M. Scott Shell
Publisher: Cambridge University Press
ISBN: 1107014530
Category : Science
Languages : en
Pages : 499
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Book Description
Learn classical thermodynamics alongside statistical mechanics and how macroscopic and microscopic ideas interweave with this fresh approach to the subjects.
Author: B. Widom
Publisher: Cambridge University Press
ISBN: 9780521009669
Category : Science
Languages : en
Pages : 182
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Book Description
This book is an introduction to statistical mechanics, intended for advanced undergraduate or beginning graduate students.
Author: Michael Bachmann
Publisher: Cambridge University Press
ISBN: 1139915991
Category : Science
Languages : en
Pages : 359
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Book Description
The structural mechanics of proteins that fold into functional shapes, polymers that aggregate and form clusters, and organic macromolecules that bind to inorganic matter can only be understood through statistical physics and thermodynamics. This book reviews the statistical mechanics concepts and tools necessary for the study of structure formation processes in macromolecular systems that are essentially influenced by finite-size and surface effects. Readers are introduced to molecular modeling approaches, advanced Monte Carlo simulation techniques, and systematic statistical analyses of numerical data. Applications to folding, aggregation, and substrate adsorption processes of polymers and proteins are discussed in great detail. Particular emphasis is placed on the reduction of complexity by coarse-grained modeling, which allows for the efficient, systematic investigation of structural phases and transitions. Providing insight into modern research at this interface between physics, chemistry, biology, and nanotechnology, this book is an excellent reference for graduate students and researchers.
Author: Joel Keizer
Publisher: Springer Science & Business Media
ISBN: 1461210542
Category : Science
Languages : en
Pages : 517
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Book Description
The structure of the theory ofthermodynamics has changed enormously since its inception in the middle of the nineteenth century. Shortly after Thomson and Clausius enunciated their versions of the Second Law, Clausius, Maxwell, and Boltzmann began actively pursuing the molecular basis of thermo dynamics, work that culminated in the Boltzmann equation and the theory of transport processes in dilute gases. Much later, Onsager undertook the elucidation of the symmetry oftransport coefficients and, thereby, established himself as the father of the theory of nonequilibrium thermodynamics. Com bining the statistical ideas of Gibbs and Langevin with the phenomenological transport equations, Onsager and others went on to develop a consistent statistical theory of irreversible processes. The power of that theory is in its ability to relate measurable quantities, such as transport coefficients and thermodynamic derivatives, to the results of experimental measurements. As powerful as that theory is, it is linear and limited in validity to a neighborhood of equilibrium. In recent years it has been possible to extend the statistical theory of nonequilibrium processes to include nonlinear effects. The modern theory, as expounded in this book, is applicable to a wide variety of systems both close to and far from equilibrium. The theory is based on the notion of elementary molecular processes, which manifest themselves as random changes in the extensive variables characterizing a system. The theory has a hierarchical character and, thus, can be applied at various levels of molecular detail.
