Numerical Simulation in Molecular Dynamics - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Numerical Simulation in Molecular Dynamics write by Michael Griebel. This book was released on 2007-08-16. Numerical Simulation in Molecular Dynamics available in PDF, EPUB and Kindle. This book details the necessary numerical methods, the theoretical background and foundations and the techniques involved in creating computer particle models, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text offers step-by-step explanations of numerical simulation, providing illustrative code examples. With the description of the algorithms and the presentation of the results of various simulations from fields such as material science, nanotechnology, biochemistry and astrophysics, the reader of this book will learn how to write programs capable of running successful experiments for molecular dynamics.
Numerical Simulation in Molecular Dynamics
Numerical Simulation in Molecular Dynamics - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Numerical Simulation in Molecular Dynamics write by Michael Griebel. This book was released on 2010-11-30. Numerical Simulation in Molecular Dynamics available in PDF, EPUB and Kindle. This book details the necessary numerical methods, the theoretical background and foundations and the techniques involved in creating computer particle models, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text offers step-by-step explanations of numerical simulation, providing illustrative code examples. With the description of the algorithms and the presentation of the results of various simulations from fields such as material science, nanotechnology, biochemistry and astrophysics, the reader of this book will learn how to write programs capable of running successful experiments for molecular dynamics.
Numerical Simulation in Molecular Dynamics
Numerical Simulation in Molecular Dynamics - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Numerical Simulation in Molecular Dynamics write by Michael Griebel. This book was released on 2007-08-09. Numerical Simulation in Molecular Dynamics available in PDF, EPUB and Kindle. This book details the necessary numerical methods, the theoretical background and foundations and the techniques involved in creating computer particle models, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text offers step-by-step explanations of numerical simulation, providing illustrative code examples. With the description of the algorithms and the presentation of the results of various simulations from fields such as material science, nanotechnology, biochemistry and astrophysics, the reader of this book will learn how to write programs capable of running successful experiments for molecular dynamics.
The Art of Molecular Dynamics Simulation
The Art of Molecular Dynamics Simulation - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook The Art of Molecular Dynamics Simulation write by D. C. Rapaport. This book was released on 2004-04. The Art of Molecular Dynamics Simulation available in PDF, EPUB and Kindle. First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.
Molecular Dynamics Simulations in Statistical Physics: Theory and Applications
Molecular Dynamics Simulations in Statistical Physics: Theory and Applications - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Dynamics Simulations in Statistical Physics: Theory and Applications write by Hiqmet Kamberaj. This book was released on 2020-03-20. Molecular Dynamics Simulations in Statistical Physics: Theory and Applications available in PDF, EPUB and Kindle. 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.
