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Computational Statistical Mechanics

Author: W.G. Hoover

Publisher: Elsevier

Published: 2012-12-02

Total Pages: 330

ISBN-13: 0444596593

Computational Statistical Mechanics describes the use of fast computers to simulate the equilibrium and nonequilibrium properties of gases, liquids, and solids at, and away from equilibrium. The underlying theory is developed from basic principles and illustrated by applying it to the simplest possible examples. Thermodynamics, based on the ideal gas thermometer, is related to Gibb's statistical mechanics through the use of Nosé-Hoover heat reservoirs. These reservoirs use integral feedback to control temperature. The same approach is carried through to the simulation and analysis of nonequilibrium mass, momentum, and energy flows. Such a unified approach makes possible consistent mechanical definitions of temperature, stress, and heat flux which lead to a microscopic demonstration of the Second Law of Thermodynamics directly from mechanics. The intimate connection linking Lyapunov-unstable microscopic motions to macroscopic dissipative flows through multifractal phase-space structures is illustrated with many examples from the recent literature. The book is well-suited for undergraduate courses in advanced thermodynamics, statistical mechanic and transport theory, and graduate courses in physics and chemistry.

Computational Statistical Physics

Author: Lucas Böttcher

Publisher: Cambridge University Press

Published: 2021-08-26

Total Pages: 275

ISBN-13: 9781108841429

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Providing a detailed and pedagogical account of the rapidly-growing field of computational statistical physics, this book covers both the theoretical foundations of equilibrium and non-equilibrium statistical physics, and also modern, computational applications such as percolation, random walks, magnetic systems, machine learning dynamics, and spreading processes on complex networks. A detailed discussion of molecular dynamics simulations is also included, a topic of great importance in biophysics and physical chemistry. The accessible and self-contained approach adopted by the authors makes this book suitable for teaching courses at graduate level, and numerous worked examples and end of chapter problems allow students to test their progress and understanding.

Statistical Mechanics: Algorithms and Computations

Author: Werner Krauth

Publisher: Oxford University Press

Published: 2006-09-14

Total Pages: 355

ISBN-13: 0198515367

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CD-ROM contains more than one hundred pseudocode programs and close to 300 figures, line drawings, and tables contained in the book.

Computational Statistical Physics

Author: K.-H. Hoffmann

Publisher: Springer Science & Business Media

Published: 2013-03-14

Total Pages: 312

ISBN-13: 3662048043

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In recent years statistical physics has made significant progress as a result of advances in numerical techniques. While good textbooks exist on the general aspects of statistical physics, the numerical methods and the new developments based on large-scale computing are not usually adequately presented. In this book 16 experts describe the application of methods of statistical physics to various areas in physics such as disordered materials, quasicrystals, semiconductors, and also to other areas beyond physics, such as financial markets, game theory, evolution, and traffic planning, in which statistical physics has recently become significant. In this way the universality of the underlying concepts and methods such as fractals, random matrix theory, time series, neural networks, evolutionary algorithms, becomes clear. The topics are covered by introductory, tutorial presentations.

Computational Complexity and Statistical Physics

Author: Allon Percus

Publisher: Oxford University Press, USA

Published: 2006

Total Pages: 394

ISBN-13: 9780195177374

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Computer science and physics have been closely linked since the birth of modern computing. In recent years, an interdisciplinary area has blossomed at the junction of these fields, connecting insights from statistical physics with basic computational challenges. Researchers have successfully applied techniques from the study of phase transitions to analyze NP-complete problems such as satisfiability and graph coloring. This is leading to a new understanding of the structure of these problems, and of how algorithms perform on them. Computational Complexity and Statistical Physics will serve as a standard reference and pedagogical aid to statistical physics methods in computer science, with a particular focus on phase transitions in combinatorial problems. Addressed to a broad range of readers, the book includes substantial background material along with current research by leading computer scientists, mathematicians, and physicists. It will prepare students and researchers from all of these fields to contribute to this exciting area.

Information, Physics, and Computation

Author: Marc Mézard

Publisher: Oxford University Press

Published: 2009-01-22

Total Pages: 584

ISBN-13: 019857083X

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A very active field of research is emerging at the frontier of statistical physics, theoretical computer science/discrete mathematics, and coding/information theory. This book sets up a common language and pool of concepts, accessible to students and researchers from each of these fields.

Computational Biology

Author: Ralf Blossey

Publisher: CRC Press

Published: 2006-05-25

Total Pages: 276

ISBN-13: 1420010786

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Quantitative methods have a particular knack for improving any field they touch. For biology, computational techniques have led to enormous strides in our understanding of biological systems, but there is still vast territory to cover. Statistical physics especially holds great potential for elucidating the structural-functional relationships in bi

Statistical Mechanics: Theory and Molecular Simulation

Author: Mark Tuckerman

Publisher: OUP Oxford

Published: 2010-02-11

Total Pages: 719

ISBN-13: 0191523461

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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.

Computational statistical physics

Author: Sitangshu Bikas Santra

Publisher: Hindustan Book Agency

Published: 2011-07-15

Total Pages: 0

ISBN-13: 9789380250151

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The present book is an outcome of the SERC school on Computational Statistical Physics held at the Indian Institute of Technology, Guwahati, in December 2008. Numerical experimentation has played an extremely important role in statistical physics in recent years. Lectures given at the School covered a large number of topics of current and continuing interest. Based on lectures by active researchers in the field- Bikas Chakrabarti, S Chaplot, Deepak Dhar, Sanjay Kumar, Prabal Maiti, Sanjay Puri, Purusattam Ray, Sitangshu Santra and Subir Sarkar- the nine chapters comprising the book deal with topics that range from the fundamentals of the field, to problems and questions that are at the very forefront of current research. This book aims to expose the graduate student to the basic as well as advanced techniques in computational statistical physics. Following a general introduction to statistical mechanics and critical phenomena, the various chapters cover Monte Carlo and molecular dynamics simulation methodology, along with a variety of applications. These include the study of coarsening phenomena and diffusion in zeolites. /p In addition, graphical enumeration techniques are covered in detail with applications to percolation and polymer physics, and methods for optimisation are also discussed. Beginning graduate students and young researchers in the area of statistical physics will find the book useful. In addition, this will also be a valuable general reference for students and researchers in other areas of science and engineering.

Thermodynamics and Statistical Mechanics

Author: Phil Attard

Publisher: Academic Press

Published: 2002-07-24

Total Pages: 444

ISBN-13: 9780120663217

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Isolated systems and thermal equilibrium -- Various reservoirs -- Probability and the general formalism -- Classical statistical mechanics -- Ideal systems -- Interacting particles -- Diagrammatic and functional expansions -- Pair functions -- Functional and perturbation theory -- Inhomogeneous systems -- Coulomb systems -- Computer simulations.