This book is an introduction to the computational methods used in physics and other scientific fields. It is addressed to an audience that has already been exposed to the introductory level of college physics, usually taught during the first two years of an undergraduate program in science and engineering. The book starts with very simple problems in particle motion and ends with an in-depth discussion of advanced techniques used in Monte Carlo simulations in statistical mechanics. The level of instruction rises slowly, while discussing problems like the diffusion equation, electrostatics on the plane, quantum mechanics and random walks. The book aims to provide the students with the background and the experience needed in order to advance to high performance computing projects in science and engineering. But it also tries to keep the students motivated by considering interesting applications in physics, like chaos, quantum mechanics, special relativity and the physics of phase transitions. The book and the accompanying software is available for free in electronic form at http://goo.gl/SGUEkM (www.physics.ntua.gr/%7Ekonstant/ComputationalPhysics) and a printed copy can be purchased from lulu.com at http://goo.gl/Pg1zHc (vol II at http://goo.gl/XsSBdP )

This book is an introduction to the computational methods used in physics and other scientific fields. It is addressed to an audience that has already been exposed to the introductory level of college physics, usually taught during the first two years of an undergraduate program in science and engineering. The book starts with very simple problems in particle motion and ends with an in-depth discussion of advanced techniques used in Monte Carlo simulations in statistical mechanics. The level of instruction rises slowly, while discussing problems like the diffusion equation, electrostatics on the plane, quantum mechanics and random walks. The book aims to provide the students with the background and the experience needed in order to advance to high performance computing projects in science and engineering. But it also tries to keep the students motivated by considering interesting applications in physics, like chaos, quantum mechanics, special relativity and the physics of phase transitions. The book and the accompanying software is available for free in electronic form at http://goo.gl/SGUEkM (www.physics.ntua.gr/%7Ekonstant/ComputationalPhysics) and a printed copy can be purchased from lulu.com at http://goo.gl/XsSBdP (vol I at http://goo.gl/Pg1zHc )

Progress in Computational Physics is an e-book series devoted to recent research trends in computational physics. It contains chapters contributed by outstanding experts of modeling of physical problems. The series focuses on interdisciplinary computational perspectives of current physical challenges, new numerical techniques for the solution of mathematical wave equations and describes certain real-world applications. With the help of powerful computers and sophisticated methods of numerical mathematics it is possible to simulate many ultramodern devices, e.g. photonic crystals structures, semiconductor nanostructures or fuel cell stacks devices, thus preventing expensive and longstanding design and optimization in the laboratories. In this book series, research manuscripts are shortened as single chapters and focus on one hot topic per volume. Engineers, physicists, meteorologists, etc. and applied mathematicians can benefit from the series content. Readers will get a deep and active insight into state-of-the art modeling and simulation techniques of ultra-modern devices and problems. The third volume - Novel Trends in Lattice Boltzmann Methods - Reactive Flow, Physicochemical Transport and Fluid-Structure Interaction - contains 10 chapters devoted to mathematical analysis of different issues related to the lattice Boltzmann methods, advanced numerical techniques for physico-chemical flows, fluid structure interaction and practical applications of these phenomena to real world problems.

This book describes computational methods used in theoretical physics with emphasis on condensed matter applications.

This book is an introduction to the computational methods used in physics and other related scientific fields. It is addressed to an audience that has already been exposed to the introductory level of college physics, usually taught during the first two years of an undergraduate program in science and engineering. It assumes no prior knowledge of numerical analysis, programming or computers and teaches whatever is necessary for the solution of the problems addressed in the text. C++ is used for programming the core programs and data analysis is performed using the powerful tools of the GNU/Linux environment. All the necessary software is open source and freely available. The book starts with very simple problems in particle motion and ends with an in-depth discussion of advanced techniques used in Monte Carlo simulations in statistical mechanics. The level of instruction rises slowly, while discussing problems like the diffusion equation, electrostatics on the plane, quantum mechanics and random walks.

This textbook presents basic numerical methods and applies them to a large variety of physical models in multiple computer experiments. Classical algorithms and more recent methods are explained. Partial differential equations are treated generally comparing important methods, and equations of motion are solved by a large number of simple as well as more sophisticated methods. Several modern algorithms for quantum wavepacket motion are compared. The first part of the book discusses the basic numerical methods, while the second part simulates classical and quantum systems. Simple but non-trivial examples from a broad range of physical topics offer readers insights into the numerical treatment but also the simulated problems. Rotational motion is studied in detail, as are simple quantum systems. A two-level system in an external field demonstrates elementary principles from quantum optics and simulation of a quantum bit. Principles of molecular dynamics are shown. Modern boundary element methods are presented in addition to standard methods, and waves and diffusion processes are simulated comparing the stability and efficiency of different methods. A large number of computer experiments is provided, which can be tried out even by readers with no programming skills. Exercises in the applets complete the pedagogical treatment in the book. In the third edition Monte Carlo methods and random number generation have been updated taking recent developments into account. Krylov-space methods for eigenvalue problems are discussed in much more detail. Short time Fourier transformation and wavelet transformation have been included as tools for time-frequency analysis. Lastly, elementary quantum many-body problems demonstrate the application of variational and Monte-Carlo methods.

This book is an introduction to the computational methods used in physics, but also in other scientific fields. It is addressed to an audience that has already been exposed to the introductory level of college physics, usually taught during the first two years of an undergraduate program in science and engineering. It assumes no prior knowledge of numerical analysis, programming or computers and teaches whatever is necessary for the solution of the problems addressed in the text. It can be used as a textbook in introductory computational physics or scientific computing classes. The book starts with very simple problems in particle motion and ends with an in-depth discussion of advanced techniques used in Monte Carlo simulations in statistical mechanics. The level of instruction rises slowly, while discussing problems like the diffusion equation, electrostatics on the plane, quantum mechanics and random walks. All the material can be taught in two semesters, but a selection of topics can form the material of a one semester course. The book aims to provide the students with the background and the experience needed in order to advance to high performance computing projects in science and engineering. It puts emphasis on hands--on programming of numerical code but also on the production, analysis and interpretation of data. But it also tries to keep the students motivated by considering interesting applications in physics, like chaos, quantum mechanics, special relativity and the physics of phase transitions. There is a C++ and a Fortran edition for the core programming. Data analysis is performed using the powerful tools of the GNU/Linux environment. All the necessary software is open source and freely available. The book and the accompanying software are given under a Creative Commons License/GNU public License as a service to the community. It can be used freely as a whole, or any part of it, in any form, by anyone. There is no official distribution of hard copies, but you can use the printing service of your preference in order produce any number of copies you need for you and/or your students. For the lazy ones, a very nice and cheap paperback can be purchaced from lulu.com, amazon.com and conventional bookstores. The ebook can be read in most electronic devices like your PC, tablet or favorite ebook reader and it is freely available from the book's website.

This new edition is a concise introduction to the basic methods of computational physics. Readers will discover the benefits of numerical methods for solving complex mathematical problems and for the direct simulation of physical processes. The book is divided into two main parts: Deterministic methods and stochastic methods in computational physics. Based on concrete problems, the first part discusses numerical differentiation and integration, as well as the treatment of ordinary differential equations. This is extended by a brief introduction to the numerics of partial differential equations. The second part deals with the generation of random numbers, summarizes the basics of stochastics, and subsequently introduces Monte-Carlo (MC) methods. Specific emphasis is on MARKOV chain MC algorithms. The final two chapters discuss data analysis and stochastic optimization. All this is again motivated and augmented by applications from physics. In addition, the book offers a number of appendices to provide the reader with information on topics not discussed in the main text. Numerous problems with worked-out solutions, chapter introductions and summaries, together with a clear and application-oriented style support the reader. Ready to use C++ codes are provided online.

The aim of the book is to describe some of the recent advances, through computer simulation in a broad sense, in the understanding of the complex processes occurring in solids and liquids.The rapid growth of computer power, including the new parallel processors, has stimulated a ferment of new theoretical and computational ideas, which have been developed in particular by the authors in a pluriennal research project supported by Consiglio Nazionale delle Ricerche (CNR) for the development of novel software for large scale computations.The book will cover advances in ab initio (Car-Parrinello) molecular dynamics, quantum monte carlo simulations, self-consistent density functional computation of electronic states, classical molecular dynamics simulation of thermodynamic processes, chemical reactions and transport properties.Besides the description of the results of these techniques in leading edge applications, the book will address specific aspects of the algorithms and software which have been developed by the authors in order to implement in an efficient way the new theoretical advances in these computationally intensive problems.These aspects which are generally not discussed in any detail in the literature, can be of great help for newcomers in the field.

Textbook introducing basic methods of computational physics and giving overview of several advanced topics; for advanced undergraduate or beginning graduate students.