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Author : Dennis C. Rapaport
Publisher :
ISBN 13 :
Total Pages : 53 pages
Book Rating : 4.:/5 (11 download)
Download or read book Large-scale Molecular Dynamics Simulation Using Vector and Parallel Computers written by Dennis C. Rapaport and published by . This book was released on 1988 with total page 53 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : D. C. Rapaport
Publisher :
ISBN 13 :
Total Pages : 53 pages
Book Rating : 4.:/5 (354 download)
Download or read book Large-scale Molecular Dynamics Simulation Using Vector and Parallel Computers written by D. C. Rapaport and published by . This book was released on 1988 with total page 53 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Peter Grassberger
Publisher : World Scientific
ISBN 13 : 9814493554
Total Pages : 395 pages
Book Rating : 4.8/5 (144 download)
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.
Author : Michael Griebel
Publisher : Springer Science & Business Media
ISBN 13 : 3540680950
Total Pages : 472 pages
Book Rating : 4.5/5 (46 download)
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.
Author : Hans J Herrmann
Publisher : World Scientific
ISBN 13 : 9814552038
Total Pages : 296 pages
Book Rating : 4.8/5 (145 download)
Download or read book Large Scale Computational Physics On Massively Parallel Computers written by Hans J Herrmann and published by World Scientific. This book was released on 1993-12-27 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Contents:A Lattice Solid Model for the Nonlinear Dynamics of Earthquakes (P Mora & D Place)Vectorized and Parallelized Algorithms for Multi-Million Particle MD-Simulations (W Form et al)Green-Function Method for Electronic Structure of Periodic Crystals (R Zeller)Parallelization of the Ising Simulation (N Ito)A Nonlocal Approach to Vertex Models and Quantum Spin Systems (H G Evertz & M Marcu)The Static Quark-Antiquark-Potential: A ‘Classical’ Experiment on the Connection Machine CM-2 (K Schilling & G S Bali)Determination of Monopole Current Clusters in Four-Dimensional Quantum Electrodynamics (A Bode et al)QCD Calculations on the QCDPAX (K Kanaya)UKQCD — Recent Results and Future Prospects (R Kenway)Programming Tools for Parallel Computers (K J M Moriarity & T Trappenberg)Workstation Clusters: One Way to Parallel Computing (M Weber)APE100 and Beyond (R Tripiccione)and other papers Readership: Computational physicists. keywords:
Author : Alexander Heinecke
Publisher : Springer
ISBN 13 : 3319171488
Total Pages : 83 pages
Book Rating : 4.3/5 (191 download)
Download or read book Supercomputing for Molecular Dynamics Simulations written by Alexander Heinecke and published by Springer. This book was released on 2015-03-30 with total page 83 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking Intel Xeon and Intel Xeon Phi clusters as representatives of current platforms. The work describes distributed and shared-memory parallelization on these platforms, including load balancing, with a particular focus on the efficient implementation of the compute kernels. The text also discusses the software-architecture of the resulting code.
Author : Peter Grassberger
Publisher : World Scientific Publishing Company
ISBN 13 : 9789810242329
Total Pages : 312 pages
Book Rating : 4.2/5 (423 download)
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.
Author : Martin Oliver Steinhauser
Publisher : Walter de Gruyter
ISBN 13 : 3110256061
Total Pages : 532 pages
Book Rating : 4.1/5 (12 download)
Download or read book Computer Simulation in Physics and Engineering written by Martin Oliver Steinhauser and published by Walter de Gruyter. This book was released on 2012-12-06 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : W.G. Hoover
Publisher : Elsevier
ISBN 13 : 0444596593
Total Pages : 330 pages
Book Rating : 4.4/5 (445 download)
Download or read book Computational Statistical Mechanics written by W.G. Hoover and published by Elsevier. This book was released on 2012-12-02 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Statistical Mechanics describes the use of fast computers to simulate the equilibrium and nonequilibrium properties of gases, liquids, and solids at, and away from equilibrium. The underlying theory is developed from basic principles and illustrated by applying it to the simplest possible examples. Thermodynamics, based on the ideal gas thermometer, is related to Gibb's statistical mechanics through the use of Nosé-Hoover heat reservoirs. These reservoirs use integral feedback to control temperature. The same approach is carried through to the simulation and analysis of nonequilibrium mass, momentum, and energy flows. Such a unified approach makes possible consistent mechanical definitions of temperature, stress, and heat flux which lead to a microscopic demonstration of the Second Law of Thermodynamics directly from mechanics. The intimate connection linking Lyapunov-unstable microscopic motions to macroscopic dissipative flows through multifractal phase-space structures is illustrated with many examples from the recent literature. The book is well-suited for undergraduate courses in advanced thermodynamics, statistical mechanic and transport theory, and graduate courses in physics and chemistry.
Author : Perla Balbuena
Publisher : Elsevier
ISBN 13 : 0080536840
Total Pages : 971 pages
Book Rating : 4.0/5 (85 download)
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.
Author : Peter Nielaba
Publisher : Springer Science & Business Media
ISBN 13 : 3540458379
Total Pages : 498 pages
Book Rating : 4.5/5 (44 download)
Download or read book Bridging the Time Scales written by Peter Nielaba and published by Springer Science & Business Media. This book was released on 2007-10-13 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: The behaviour of many complex materials extends over time- and lengthscales well beyond those that can normally be described using standard molecular dynamics or Monte Carlo simulation techniques. As progress is coming more through refined simulation methods than from increased computer power, this volume is intended as both an introduction and a review of all relevant modern methods that will shape molecular simulation in the forthcoming decade. Written as a set of tutorial reviews, the book will be of use to specialists and nonspecialists alike.
Author : Douglas J. K. Mewhort
Publisher : Springer
ISBN 13 : 3642126596
Total Pages : 429 pages
Book Rating : 4.6/5 (421 download)
Download or read book High Performance Computing Systems and Applications written by Douglas J. K. Mewhort and published by Springer. This book was released on 2010-04-20 with total page 429 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book constitutes the thoroughly refereed post-conference proceedings of the 23rd International Symposium on High Performance Computing Systems and Applications, HPCS 2009, held in Kingston, Canada, in June 2009. The 29 revised full papers presented - fully revised to incorporate reviewers' comments and discussions at the symposium - were carefully selected for inclusion in the book. The papers are organized in topical sections on turbulence, materials and life sciences, bringing HPC to industry, computing science, mathematics, and statistics, as well as HPC systems and methods.
Author : Luciano Reatto
Publisher : World Scientific
ISBN 13 : 9789810224042
Total Pages : 288 pages
Book Rating : 4.2/5 (24 download)
Download or read book Progress in Computational Physics of Matter written by Luciano Reatto and published by World Scientific. This book was released on 1995 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Thomas Bönisch
Publisher : Springer Science & Business Media
ISBN 13 : 3540687432
Total Pages : 182 pages
Book Rating : 4.5/5 (46 download)
Download or read book High Performance Computing on Vector Systems 2006 written by Thomas Bönisch and published by Springer Science & Business Media. This book was released on 2007-05-31 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book presents the state-of-the-art in high performance computing and simulation on modern supercomputer architectures. It covers trends in high performance application software development in general and specifically for parallel vector architectures. The contributions cover among others the field of computational fluid dynamics, physics, chemistry, and meteorology. Innovative application fields like reactive flow simulations and nano technology are presented.
Author : I. Foster
Publisher : IOS Press
ISBN 13 : 1643680714
Total Pages : 806 pages
Book Rating : 4.6/5 (436 download)
Download or read book Parallel Computing: Technology Trends written by I. Foster and published by IOS Press. This book was released on 2020-03-25 with total page 806 pages. Available in PDF, EPUB and Kindle. Book excerpt: The year 2019 marked four decades of cluster computing, a history that began in 1979 when the first cluster systems using Components Off The Shelf (COTS) became operational. This achievement resulted in a rapidly growing interest in affordable parallel computing for solving compute intensive and large scale problems. It also directly lead to the founding of the Parco conference series. Starting in 1983, the International Conference on Parallel Computing, ParCo, has long been a leading venue for discussions of important developments, applications, and future trends in cluster computing, parallel computing, and high-performance computing. ParCo2019, held in Prague, Czech Republic, from 10 – 13 September 2019, was no exception. Its papers, invited talks, and specialized mini-symposia addressed cutting-edge topics in computer architectures, programming methods for specialized devices such as field programmable gate arrays (FPGAs) and graphical processing units (GPUs), innovative applications of parallel computers, approaches to reproducibility in parallel computations, and other relevant areas. This book presents the proceedings of ParCo2019, with the goal of making the many fascinating topics discussed at the meeting accessible to a broader audience. The proceedings contains 57 contributions in total, all of which have been peer-reviewed after their presentation. These papers give a wide ranging overview of the current status of research, developments, and applications in parallel computing.
Author : Gerhard Joubert
Publisher : Elsevier
ISBN 13 : 0080538436
Total Pages : 975 pages
Book Rating : 4.0/5 (85 download)
Download or read book Parallel Computing: Software Technology, Algorithms, Architectures & Applications written by Gerhard Joubert and published by Elsevier. This book was released on 2004-09-23 with total page 975 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Parallel Computing series presents the theory and use of of parallel computer systems, including vector, pipeline, array, fifth and future generation computers and neural computers. This volume features original research work, as well as accounts on practical experience with and techniques for the use of parallel computers.
Author :
Publisher :
ISBN 13 :
Total Pages : 568 pages
Book Rating : 4.:/5 (319 download)
Download or read book Los Alamos Science written by and published by . This book was released on 1994 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt:
