Computer Simulation Methods in Theoretical Physics PDF Download
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Author: Dieter W. Heermann
Publisher:
ISBN:
Category : Computers
Languages : en
Pages : 178
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Book Description
Computational methods pertaining to many branches of science, such as physics, physical chemistry and biology, are presented. It examines all major methods, including the powerful molecular dynamics method, Brownian dynamics and the Monte-Carlo method. In each case, the underlying theory is presented and then practical algorithms are displayed, giving the reader the opportunity to apply these methods directly. For this purpose exercises are included. The book also features complete program listings ready for application.
Author: Dieter W. Heermann
Publisher:
ISBN:
Category : Computers
Languages : en
Pages : 178
Get Book Here
Book Description
Computational methods pertaining to many branches of science, such as physics, physical chemistry and biology, are presented. It examines all major methods, including the powerful molecular dynamics method, Brownian dynamics and the Monte-Carlo method. In each case, the underlying theory is presented and then practical algorithms are displayed, giving the reader the opportunity to apply these methods directly. For this purpose exercises are included. The book also features complete program listings ready for application.
Author: Dieter W. Heermann
Publisher: Springer Science & Business Media
ISBN: 3642969712
Category : Science
Languages : en
Pages : 155
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Book Description
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: Philipp Scherer
Publisher: Springer Science & Business Media
ISBN: 3319004018
Category : Science
Languages : en
Pages : 456
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Book Description
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: Martin Oliver Steinhauser
Publisher: Walter de Gruyter
ISBN: 3110256061
Category : Science
Languages : en
Pages : 532
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Book Description
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: Giovanni Battimelli
Publisher: Springer Nature
ISBN: 3030393992
Category : Science
Languages : en
Pages : 214
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Book Description
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: Burkhard Dünweg
Publisher: Springer Science & Business Media
ISBN: 9781402014642
Category : Computers
Languages : en
Pages : 480
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Book Description
Proceedings of the NATO Advanced Study Institute, Albena, Bulgaria, from 9 to 20 September 2002
Author: R.W Hockney
Publisher: CRC Press
ISBN: 9781439822050
Category : Science
Languages : en
Pages : 566
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Book Description
Computer simulation of systems has become an important tool in scientific research and engineering design, including the simulation of systems through the motion of their constituent particles. Important examples of this are the motion of stars in galaxies, ions in hot gas plasmas, electrons in semiconductor devices, and atoms in solids and liquids. The behavior of the system is studied by programming into the computer a model of the system and then performing experiments with this model. New scientific insight is obtained by observing such computer experiments, often for controlled conditions that are not accessible in the laboratory. Computer Simulation using Particles deals with the simulation of systems by following the motion of their constituent particles. This book provides an introduction to simulation using particles based on the NGP, CIC, and P3M algorithms and the programming principles that assist with the preparations of large simulation programs based on the OLYMPUS methodology. It also includes case study examples in the fields of astrophysics, plasmas, semiconductors, and ionic solids as well as more detailed mathematical treatment of the models, such as their errors, dispersion, and optimization. This resource will help you understand how engineering design can be assisted by the ability to predict performance using the computer model before embarking on costly and time-consuming manufacture.
Author: Mark L. Wilkins
Publisher: Springer Science & Business Media
ISBN: 3662038854
Category : Science
Languages : en
Pages : 260
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Book Description
A description of computer programs for simulating phenomena in hydrodynamics, gas dynamics, and elastic plastic flow in one, two, and three dimensions. The text covers Maxwell's equations, and thermal and radiation diffusion, while the numerical procedures described permit the exact conservation of physical properties in the solutions of the fundamental laws of mechanics. The author also treats materials, including the use of simulation programs to predict material behavior.
Author: Dieter W Heermann
Publisher:
ISBN: 9783642969720
Category :
Languages : en
Pages : 164
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Book Description
Author: Hiqmet Kamberaj
Publisher: Springer Nature
ISBN: 3030357023
Category : Science
Languages : en
Pages : 470
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Book Description
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.
