Computer Simulation Methods In Theoretical Physics

Author : Dieter W. Heermann
Publisher : Springer Science & Business Media
Page : 155 pages
File Size : 47,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9783642969713

Get Book

Computer Simulation Methods in Theoretical Physics by Dieter W. Heermann Pdf

Appropriately for a book having the title "Computer Simulation Methods in Theoretical Physics", this book begins with a disclai mer. It does not and cannot give a complete introduction to simu lational physics. This exciting field is too new and is expanding too rapidly for even an attempt to be made. The intention here is to present a selection of fundamental techniques that are now being widely applied in many areas of physics, mathematics, chem istry and biology. It is worth noting that the methods are not only applicable in physics. They have been successfully used in other sciences, showing their great flexibility and power. This book has two main chapters (Chaps. 3 and 4) dealing with deterministic and stochastic computer simulation methods. Under the heading "deterministic" are collected methods involving classical dynamics, i.e. classical equations of motion, which have become known as the molecular dynamics simulation method. The se cond main chapter deals with methods that are partly or entirely of a stochastic nature. These include Brownian dynamics and the Monte Carlo method. To aid understanding of the material and to develop intuition, problems are included at the end of each chapter. Upon a first reading, the reader is advised to skip Chapter 2, which is a general introduction to computer simUlation methods.

Author : Dieter W Heermann
Publisher : Unknown
Page : 164 pages
File Size : 44,6 Mb
Release : 1986-08-01
Category : Electronic
ISBN : 3642969720

Get Book

Computer Simulation Methods in Theoretical Physics by Dieter W Heermann Pdf

Author : Harvey Gould,Jan Tobochnik
Publisher : Addison Wesley Publishing Company
Page : 408 pages
File Size : 46,6 Mb
Release : 1988
Category : Computers
ISBN : UOM:49015002172105

Get Book

An Introduction to Computer Simulation Methods by Harvey Gould,Jan Tobochnik Pdf

Author : Burkhard Dünweg,David P. Landau,Andrey I. Milchev
Publisher : Springer Science & Business Media
Page : 422 pages
File Size : 47,6 Mb
Release : 2013-03-07
Category : Science
ISBN : 9789401001731

Get Book

Computer Simulations of Surfaces and Interfaces by Burkhard Dünweg,David P. Landau,Andrey I. Milchev Pdf

Studies of surfaces and interactions between dissimilar materials or phases are vital for modern technological applications. Computer simulation methods are indispensable in such studies and this book contains a substantial body of knowledge about simulation methods as well as the theoretical background for performing computer experiments and analyzing the data. The book is self-contained, covering a range of topics from classical statistical mechanics to a variety of simulation techniques, including molecular dynamics, Langevin dynamics and Monte Carlo methods. A number of physical systems are considered, including fluids, magnets, polymers, granular media, and driven diffusive systems. The computer simulation methods considered include both standard and accelerated versions. The simulation methods are clearly related to the fundamental principles of thermodynamics and statistical mechanics.

Author : Martin Oliver Steinhauser
Publisher : Walter de Gruyter
Page : 532 pages
File Size : 44,8 Mb
Release : 2012-12-06
Category : Science
ISBN : 9783110256062

Get Book

Computer Simulation in Physics and Engineering by Martin Oliver Steinhauser Pdf

This work is a needed reference for widely used techniques and methods of computer simulation in physics and other disciplines, such as materials science. Molecular dynamics computes a molecule's reactions and dynamics based on physical models; Monte Carlo uses random numbers to image a system's behaviour when there are different possible outcomes with related probabilities. The work conveys both the theoretical foundations as well as applications and "tricks of the trade", that often are scattered across various papers. Thus it will meet a need and fill a gap for every scientist who needs computer simulations for his/her task at hand. In addition to being a reference, case studies and exercises for use as course reading are included.

Author : Philipp Scherer
Publisher : Springer Science & Business Media
Page : 454 pages
File Size : 42,8 Mb
Release : 2013-07-17
Category : Science
ISBN : 9783319004013

Get Book

Computational Physics by Philipp Scherer Pdf

This textbook presents basic and advanced computational physics in a very didactic style. It contains very-well-presented and simple mathematical descriptions of many of the most important algorithms used in computational physics. The first part of the book discusses the basic numerical methods. The second part concentrates on simulation of classical and quantum systems. Several classes of integration methods are discussed including not only the standard Euler and Runge Kutta method but also multi-step methods and the class of Verlet methods, which is introduced by studying the motion in Liouville space. A general chapter on the numerical treatment of differential equations provides methods of finite differences, finite volumes, finite elements and boundary elements together with spectral methods and weighted residual based methods. The book gives simple but non trivial examples from a broad range of physical topics trying to give the reader insight into not only the numerical treatment but also simulated problems. Different methods are compared with regard to their stability and efficiency. The exercises in the book are realised as computer experiments.

Author : M. P. Allen,D. J. Tildesley
Publisher : Springer Science & Business Media
Page : 538 pages
File Size : 41,5 Mb
Release : 1993
Category : Mathematics
ISBN : 0792322835

Get Book

Computer Simulation in Chemical Physics by M. P. Allen,D. J. Tildesley Pdf

Proceedings of a NATO ASI held near Alghero, Italy in September 1992. The school focused on recent progress in applying the methods of computer simulation to problems in chemical physics. The 14 lectures address topics including the molecular dynamics method, advanced Monte Carlo techniques, thermodynamic constraints, computer simulations in the Gibbs ensemble, effective pair potentials and beyond, first principles molecular dynamics, computer simulation methods for nonadiabatic dynamics in condensed systems, long length- scale aspects of self organization phenomena, computer simulation of polymers, computer simulation of surfactants, parallel computing and molecular dynamics simulations, and scientific visualization--a user view. Annotation copyright by Book News, Inc., Portland, OR

Author : Kurt Binder
Publisher : Springer Science & Business Media
Page : 425 pages
File Size : 49,7 Mb
Release : 2012-12-06
Category : Science
ISBN : 9783642828034

Get Book

Monte Carlo Methods in Statistical Physics by Kurt Binder Pdf

In the seven years since this volume first appeared. there has been an enormous expansion of the range of problems to which Monte Carlo computer simulation methods have been applied. This fact has already led to the addition of a companion volume ("Applications of the Monte Carlo Method in Statistical Physics", Topics in Current Physics. Vol . 36), edited in 1984, to this book. But the field continues to develop further; rapid progress is being made with respect to the implementation of Monte Carlo algorithms, the construction of special-purpose computers dedicated to exe cute Monte Carlo programs, and new methods to analyze the "data" generated by these programs. Brief descriptions of these and other developments, together with numerous addi tional references, are included in a new chapter , "Recent Trends in Monte Carlo Simulations" , which has been written for this second edition. Typographical correc tions have been made and fuller references given where appropriate, but otherwise the layout and contents of the other chapters are left unchanged. Thus this book, together with its companion volume mentioned above, gives a fairly complete and up to-date review of the field. It is hoped that the reduced price of this paperback edition will make it accessible to a wide range of scientists and students in the fields to which it is relevant: theoretical phYSics and physical chemistry , con densed-matter physics and materials science, computational physics and applied mathematics, etc.

Author : Harvey Gould
Publisher : Unknown
Page : 318 pages
File Size : 52,9 Mb
Release : 1988
Category : BASIC (Computer program language)
ISBN : 020116504X

Get Book

An Introduction to Computer Simulation Methods: Appendices by Harvey Gould Pdf

Author : Mauro Ferrario,Giovanni Ciccotti,Kurt Binder
Publisher : Springer
Page : 712 pages
File Size : 54,7 Mb
Release : 2006-11-13
Category : Science
ISBN : 3540352708

Get Book

Computer Simulations in Condensed Matter: From Materials to Chemical Biology by Mauro Ferrario,Giovanni Ciccotti,Kurt Binder Pdf

This comprehensive collection of lectures by leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 1 is an in-depth introduction to a vast spectrum of computational techniques for statistical mechanical systems of condensed matter. Volume 2 is a collection of state-of-the-art surveys on numerical experiments carried out for a great number of systems.

Author : Wang Enge,Li Xin-zheng
Publisher : World Scientific
Page : 280 pages
File Size : 51,7 Mb
Release : 2018-01-17
Category : Science
ISBN : 9789813230460

Get Book

Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics by Wang Enge,Li Xin-zheng Pdf

This book provides a relatively complete introduction to the methods used in computational condensed matter. A wide range of electronic structure theories are introduced, including traditional quantum chemistry methods, density functional theory, many-body perturbation theory, and more. Molecular dynamics simulations are also discussed, with extensions to enhanced sampling and free-energy calculation techniques including umbrella sampling, meta-dynamics, integrated tempering sampling, etc. As a further extension beyond the standard Born-Oppenheimer molecular dynamics, some simulation techniques for the description of quantum nuclear effects are also covered, based on Feynman's path-integral representation of quantum mechanics. The book aims to help beginning graduate students to set up a framework of the concepts they should know before tackling the physical/chemical problems they will face in their research. Contents: Introduction to Computer Simulations of Molecules and Condensed MatterQuantum Chemistry Methods and Density-Functional TheoryPseudopotentials, Full Potential, and Basis SetsMany-Body Green's Function Theory and the GW ApproximationMolecular DynamicsExtension of Molecular Dynamics, Enhanced Sampling and the Free-Energy CalculationsQuantum Nuclear EffectsAppendices: Useful Mathematical RelationsExpansion of a Non-Local FunctionThe Brillouin-Zone IntegrationThe Frequency IntegrationReferencesAcknowledgements Readership: Researchers in computational condensed matter physics. Keywords: Electronic Structures;First-Principle;Molecular Dynamics;Path-IntegralReview: Key Features: Elaboration on a framework of concepts based on the authors' research experiencesIllustrations of methods ranging from electronic structures to molecular dynamicsDetailed explanation of the path-integral method

Author : Kurt Binder,Dieter W. Heermann
Publisher : Springer
Page : 258 pages
File Size : 48,8 Mb
Release : 2019-04-30
Category : Science
ISBN : 9783030107581

Get Book

Monte Carlo Simulation in Statistical Physics by Kurt Binder,Dieter W. Heermann Pdf

The sixth edition of this highly successful textbook provides a detailed introduction to Monte Carlo simulation in statistical physics, which deals with the computer simulation of many-body systems in condensed matter physics and related fields of physics and beyond (traffic flows, stock market fluctuations, etc.). Using random numbers generated by a computer, these powerful simulation methods calculate probability distributions, making it possible to estimate the thermodynamic properties of various systems. The book describes the theoretical background of these methods, enabling newcomers to perform such simulations and to analyse their results. It features a modular structure, with two chapters providing a basic pedagogic introduction plus exercises suitable for university courses; the remaining chapters cover major recent developments in the field. This edition has been updated with two new chapters dealing with recently developed powerful special algorithms and with finite size scaling tools for the study of interfacial phenomena, which are important for nanoscience. Previous editions have been highly praised and widely used by both students and advanced researchers.

Author : Philipp O.J. Scherer
Publisher : Springer
Page : 633 pages
File Size : 53,5 Mb
Release : 2017-09-07
Category : Science
ISBN : 9783319610887

Get Book

Computational Physics by Philipp O.J. Scherer Pdf

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.

Author : Giovanni Battimelli,Giovanni Ciccotti,Pietro Greco
Publisher : Springer Nature
Page : 214 pages
File Size : 48,9 Mb
Release : 2020-06-17
Category : Science
ISBN : 9783030393991

Get Book

Computer Meets Theoretical Physics by Giovanni Battimelli,Giovanni Ciccotti,Pietro Greco Pdf

This book provides a vivid account of the early history of molecular simulation, a new frontier for our understanding of matter that was opened when the demands of theoretical physicists were met by the availability of the modern computers. Since their inception, electronic computers have enormously increased their performance, thus making possible the unprecedented technological revolution that characterizes our present times. This obvious technological advancement has brought with it a silent scientific revolution in the practice of theoretical physics. In particular, in the physics of matter it has opened up a direct route from the microscopic physical laws to observable phenomena. One can now study the time evolution of systems composed of millions of molecules, and simulate the behaviour of macroscopic materials and actually predict their properties. Molecular simulation has provided a new theoretical and conceptual tool that physicists could only dream of when the foundations of statistical mechanics were laid. Molecular simulation has undergone impressive development, both in the size of the scientific community involved and in the range and scope of its applications. It has become the ubiquitous workhorse for investigating the nature of complex condensed matter systems in physics, chemistry, materials and the life sciences. Yet these developments remain largely unknown outside the inner circles of practitioners, and they have so far never been described for a wider public. The main objective of this book is therefore to offer a reasonably comprehensive reconstruction of the early history of molecular simulation addressed to an audience of both scientists and interested non-scientists, describing the scientific and personal trajectories of the main protagonists and discussing the deep conceptual innovations that their work produced.

Author : Mauro Ferrario,Giovanni Ciccotti,Kurt Binder
Publisher : Springer
Page : 713 pages
File Size : 50,5 Mb
Release : 2009-09-02
Category : Science
ISBN : 3540825541

Get Book

Computer Simulations in Condensed Matter: From Materials to Chemical Biology by Mauro Ferrario,Giovanni Ciccotti,Kurt Binder Pdf

This comprehensive collection of lectures by leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 1 is an in-depth introduction to a vast spectrum of computational techniques for statistical mechanical systems of condensed matter. Volume 2 is a collection of state-of-the-art surveys on numerical experiments carried out for a great number of systems.