Molecular Dynamics Simulations in Statistical Physics: Theory and Applications

Molecular Dynamics Simulations in Statistical Physics: Theory and Applications

Author: Hiqmet Kamberaj

Publisher: Springer Nature

Published: 2020-03-20

Total Pages: 470

ISBN-13: 3030357023

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This book presents computer simulations using molecular dynamics techniques in statistical physics, with a focus on macromolecular systems. The numerical methods are introduced in the form of computer algorithms and can be implemented in computers using any desired computer programming language, such as Fortran 90, C/C++, and others. The book also explains how some of these numerical methods and their algorithms can be implemented in the existing computer programming software of macromolecular systems, such as the CHARMM program. In addition, it examines a number of advanced concepts of computer simulation techniques used in statistical physics as well as biological and physical systems. Discussing the molecular dynamics approach in detail to enhance readers understanding of the use of this method in statistical physics problems, it also describes the equations of motion in various statistical ensembles to mimic real-world experimental conditions. Intended for graduate students and research scientists working in the field of theoretical and computational biophysics, physics and chemistry, the book can also be used by postgraduate students of other disciplines, such as applied mathematics, computer sciences, and bioinformatics. Further, offering insights into fundamental theory, it as a valuable resource for expert practitioners and programmers and those new to the field.


Statistical Mechanics: Theory and Molecular Simulation

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.


The Statistical Mechanics of Financial Markets

The Statistical Mechanics of Financial Markets

Author: Johannes Voit

Publisher: Springer Science & Business Media

Published: 2013-06-29

Total Pages: 227

ISBN-13: 3662044234

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A careful examination of the interaction between physics and finance. It takes a look at the 100-year-long history of co-operation between the two fields and goes on to provide new research results on capital markets - taken from the field of statistical physics. The random walk model, well known in physics, is one good example of where the two disciplines meet. In the world of finance it is the basic model upon which the Black-Scholes theory of option pricing and hedging has been built. The underlying assumptions are discussed using empirical financial data and analogies to physical models such as fluid flows, turbulence, or superdiffusion. On this basis, new theories of derivative pricing and risk control can be formulated.


Statistical Mechanics

Statistical Mechanics

Author: Richard E. Wilde

Publisher: Wiley-Interscience

Published: 1998

Total Pages: 424

ISBN-13:

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A valuable learning tool for students and an indispensable resource for professional scientists and engineers Several outstanding features make this book a superior introduction to modern statistical mechanics: It is the only intermediate-level text offering comprehensive coverage of both basic statistical mechanics and modern topics such as molecular dynamic methods, renormalization theory, chaos, polymer chain folding, oscillating chemical reactions, and cellular automata. It is also the only text written at this level to address both equilibrium and nonequilibrium statistical mechanics. Finally, students and professionals alike will appreciate such aids to comprehension as detailed derivations for most equations, more than 100 chapter-end exercises, and 15 computer programs written in FORTRAN that illustrate many of the concepts covered in the text. Statistical Mechanics begins with a refresher course in the essentials of modern statistical mechanics which, on its own, can serve as a handy pocket guide to basic definitions and formulas. Part II is devoted to equilibrium statistical mechanics. Readers will find in-depth coverage of phase transitions, critical phenomena, liquids, molecular dynamics, Monte Carlo techniques, polymers, and more. Part III focuses on nonequilibrium statistical mechanics and progresses in a logical manner from near-equilibrium systems, for which linear responses can be used, to far-from-equilibrium systems requiring nonlinear differential equations.


Algebraic Methods in Statistical Mechanics and Quantum Field Theory

Algebraic Methods in Statistical Mechanics and Quantum Field Theory

Author: Dr. GĂ©rard G. Emch

Publisher: Courier Corporation

Published: 2014-08-04

Total Pages: 336

ISBN-13: 0486151719

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This systematic algebraic approach offers a careful formulation of the problems' physical motivations as well as self-contained descriptions of the mathematical methods for arriving at solutions. 1972 edition.


Statistical Mechanics of Lattice Systems

Statistical Mechanics of Lattice Systems

Author: Sacha Friedli

Publisher: Cambridge University Press

Published: 2017-11-23

Total Pages: 643

ISBN-13: 1107184827

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A self-contained, mathematical introduction to the driving ideas in equilibrium statistical mechanics, studying important models in detail.


Statistical Physics

Statistical Physics

Author: Josef Honerkamp

Publisher: Springer Science & Business Media

Published: 2013-03-09

Total Pages: 416

ISBN-13: 3662037092

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Statistical Physics offers an advanced treatment with numerous applications to modern problems of relevance to researchers and students. Supplementing the concepts and methods employed in statistical mechanics, the book also covers the fundamentals of probability and statistics, mathematical statistics, and stochastic methods for the analysis of data. It is divided into two parts, the first focusing on the modeling of statistical systems, the second on the analysis of these systems.


Statistical Methods for Data Analysis in Particle Physics

Statistical Methods for Data Analysis in Particle Physics

Author: Luca Lista

Publisher: Springer

Published: 2017-10-13

Total Pages: 268

ISBN-13: 3319628402

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This concise set of course-based notes provides the reader with the main concepts and tools needed to perform statistical analyses of experimental data, in particular in the field of high-energy physics (HEP). First, the book provides an introduction to probability theory and basic statistics, mainly intended as a refresher from readers’ advanced undergraduate studies, but also to help them clearly distinguish between the Frequentist and Bayesian approaches and interpretations in subsequent applications. More advanced concepts and applications are gradually introduced, culminating in the chapter on both discoveries and upper limits, as many applications in HEP concern hypothesis testing, where the main goal is often to provide better and better limits so as to eventually be able to distinguish between competing hypotheses, or to rule out some of them altogether. Many worked-out examples will help newcomers to the field and graduate students alike understand the pitfalls involved in applying theoretical concepts to actual data. This new second edition significantly expands on the original material, with more background content (e.g. the Markov Chain Monte Carlo method, best linear unbiased estimator), applications (unfolding and regularization procedures, control regions and simultaneous fits, machine learning concepts) and examples (e.g. look-elsewhere effect calculation).