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Parallel Molecular Dynamics
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Book Synopsis Parallel Computing by : Roman Trobec
Download or read book Parallel Computing written by Roman Trobec and published by Springer Science & Business Media. This book was released on 2009-06-18 with total page 531 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of parallel programming and architectures is essential for simulating and solving problems in modern computational practice. There has been rapid progress in microprocessor architecture, interconnection technology and software devel- ment, which are in?uencing directly the rapid growth of parallel and distributed computing. However, in order to make these bene?ts usable in practice, this dev- opment must be accompanied by progress in the design, analysis and application aspects of parallel algorithms. In particular, new approaches from parallel num- ics are important for solving complex computational problems on parallel and/or distributed systems. The contributions to this book are focused on topics most concerned in the trends of today’s parallel computing. These range from parallel algorithmics, progr- ming, tools, network computing to future parallel computing. Particular attention is paid to parallel numerics: linear algebra, differential equations, numerical integ- tion, number theory and their applications in computer simulations, which together form the kernel of the monograph. We expect that the book will be of interest to scientists working on parallel computing, doctoral students, teachers, engineers and mathematicians dealing with numerical applications and computer simulations of natural phenomena.
Book Synopsis Visualization of Parallel Molecular Dynamics Simulations by : Wonpyo Lee
Download or read book Visualization of Parallel Molecular Dynamics Simulations written by Wonpyo Lee and published by . This book was released on 2002 with total page 538 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Dynamics On Parallel Computers by : Peter Grassberger
Download or read book Molecular Dynamics On Parallel Computers written by Peter Grassberger and published by World Scientific. This book was released on 2000-02-22 with total page 395 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular dynamics is a well-established technique for simulating complex many-particle systems in many areas of physics, chemistry, and astrophysics. The huge computational requirements for simulations of large systems, especially with long-range forces, demand the use of massively parallel computers. Designing efficient algorithms for these problems is a highly non-trivial task.This book contains the invited talks and abstracts presented at a conference by more than 100 researchers from various fields: computer science, solid state physics, high energy physics, polymers, biochemistry, granular materials and astrophysics. Most of the contributions have been written by users of massively parallel computers and deal with practical issues, but there are also contributions tackling more fundamental algorithmic problems.
Book Synopsis Molecular Dynamics by : Perla Balbuena
Download or read book Molecular Dynamics written by Perla Balbuena and published by Elsevier. This book was released on 1999-04-22 with total page 971 pages. Available in PDF, EPUB and Kindle. Book excerpt: The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD). Features of this book: • Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD • Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers • Provides chemical reactions, interfaces, catalysis, surface phenomena and solids Although the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
Book Synopsis Computing Platforms for Parallel Molecular Dynamics by : Thomas Peter Gössi
Download or read book Computing Platforms for Parallel Molecular Dynamics written by Thomas Peter Gössi and published by . This book was released on 2000 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Understanding Molecular Simulation by : Daan Frenkel
Download or read book Understanding Molecular Simulation written by Daan Frenkel and published by Elsevier. This book was released on 2001-10-19 with total page 661 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: Transition path sampling and diffusive barrier crossing to simulaterare events Dissipative particle dynamic as a course-grained simulation technique Novel schemes to compute the long-ranged forces Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations Multiple-time step algorithms as an alternative for constraints Defects in solids The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.
Book Synopsis High Performance Computing - HiPC 2007 by : Srinivas Aluru
Download or read book High Performance Computing - HiPC 2007 written by Srinivas Aluru and published by Springer. This book was released on 2008-01-22 with total page 687 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book constitutes the refereed proceedings of the 14th International Conference on High-Performance Computing, HiPC 2007, held in Goa, India, in December 2007. The 53 revised full papers presented together with the abstracts of five keynote talks were carefully reviewed and selected from 253 submissions. The papers are organized in topical sections on a broad range of applications including I/O and FPGAs, and microarchitecture and multiprocessor architecture.
Book Synopsis Case Studies in Parallel Molecular Dynamics Simulations by : Andrej Panjkov
Download or read book Case Studies in Parallel Molecular Dynamics Simulations written by Andrej Panjkov and published by . This book was released on 1995 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Numerical Simulation in Molecular Dynamics by : Michael Griebel
Download or read book Numerical Simulation in Molecular Dynamics written by Michael Griebel and published by Springer Science & Business Media. This book was released on 2007-08-16 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Improved Parallel Algorithms for Molecular Dynamics Simulations by : Ravi A. Murty
Download or read book Improved Parallel Algorithms for Molecular Dynamics Simulations written by Ravi A. Murty and published by . This book was released on 1997 with total page 100 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computing Platforms for Parallel Molecular Dynamics by : Thomas Gössi (Electrotechnician)
Download or read book Computing Platforms for Parallel Molecular Dynamics written by Thomas Gössi (Electrotechnician) and published by . This book was released on 2000 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :Peter Grassberger Publisher :World Scientific Publishing Company ISBN 13 :9789810242329 Total Pages :312 pages Book Rating :4.2/5 (423 download)
Book Synopsis Molecular Dynamics on Parallel Computers by : Peter Grassberger
Download or read book Molecular Dynamics on Parallel Computers written by Peter Grassberger and published by World Scientific Publishing Company. This book was released on 2000 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular dynamics is a well-established technique for simulating complex many-particle systems in many areas of physics, chemistry, and astrophysics. The huge computational requirements for simulations of large systems, especially with long-range forces, demand the use of massively parallel computers. Designing efficient algorithms for these problems is a highly non-trivial task. This book contains the invited talks and abstracts presented at a conference by more than 100 researchers from various fields: computer science, solid state physics, high energy physics, polymers, biochemistry, granular materials and astrophysics. Most of the contributions have been written by users of massively parallel computers and deal with practical issues, but there are also contributions tackling more fundamental algorithmic problems.
Book Synopsis Parallel Molecular Dynamics Simulations for Synthetic Polymers by : Peter Siegfried Müller
Download or read book Parallel Molecular Dynamics Simulations for Synthetic Polymers written by Peter Siegfried Müller and published by . This book was released on 1999 with total page 126 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Parallel Computing by : Christian Bischof
Download or read book Parallel Computing written by Christian Bischof and published by IOS Press. This book was released on 2008 with total page 824 pages. Available in PDF, EPUB and Kindle. Book excerpt: ParCo2007 marks a quarter of a century of the international conferences on parallel computing that started in Berlin in 1983. The aim of the conference is to give an overview of the developments, applications and future trends in high-performance computing for various platforms.
Book Synopsis Parallel Molecular Dynamics of Liquids by : Stefan Boresch
Download or read book Parallel Molecular Dynamics of Liquids written by Stefan Boresch and published by . This book was released on 1992 with total page 27 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Classical Molecular Dynamics and Parallel Computing by : Godehard Sutmann
Download or read book Classical Molecular Dynamics and Parallel Computing written by Godehard Sutmann and published by . This book was released on 2002 with total page 20 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Highly Parallel Molecular Dynamics by : Hariprasath Ganesan
Download or read book Highly Parallel Molecular Dynamics written by Hariprasath Ganesan and published by . This book was released on 2019 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
