Read Books Online and Download eBooks, EPub, PDF, Mobi, Kindle, Text Full Free.
Download Classical Molecular Dynamics And Parallel Computing full books in PDF, epub, and Kindle. Read online Classical Molecular Dynamics And Parallel Computing ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
Author : Godehard Sutmann
Publisher :
ISBN 13 :
Total Pages : 20 pages
Book Rating : 4.:/5 (249 download)
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:
Author : Timothy G. Mattson
Publisher : Wiley-VCH
ISBN 13 :
Total Pages : 240 pages
Book Rating : 4.3/5 (91 download)
Download or read book Parallel Computing in Computational Chemistry written by Timothy G. Mattson and published by Wiley-VCH. This book was released on 1995-07-27 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: Developed from a symposium sponsored by the Division of Computers in Chemistry at the 207th National Meeting of the American Chemical Society, San Diego, California, March 13-17, 1994.
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 : Dieter W. Heermann
Publisher : Springer Science & Business Media
ISBN 13 : 3642762654
Total Pages : 192 pages
Book Rating : 4.6/5 (427 download)
Download or read book Parallel Algorithms in Computational Science written by Dieter W. Heermann and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt: Our aim in this book is to present and enlarge upon those aspects of parallel computing that are needed by practitioners of computational science. Today al most all classical sciences, such as mathematics, physics, chemistry and biology, employ numerical methods to help gain insight into nature. In addition to the traditional numerical methods, such as matrix inversions and the like, a whole new field of computational techniques has come to assume central importance, namely the numerical simulation methods. These methods are much less fully developed than those which are usually taught in a standard numerical math ematics course. However, they form a whole new set of tools for research in the physical sciences and are applicable to a very wide range of problems. At the same time there have been not only enormous strides forward in the speed and capability of computers but also dramatic new developments in computer architecture, and particularly in parallel computers. These improvements offer exciting prospects for computer studies of physical systems, and it is the new techniques and methods connected with such computer simulations that we seek to present in this book, particularly in the light of the possibilities opened up by parallel computers. It is clearly not possible at this early stage to write a definitive book on simulation methods and parallel computing.
Author : Roman Trobec
Publisher : Springer Science & Business Media
ISBN 13 : 1848824092
Total Pages : 531 pages
Book Rating : 4.8/5 (488 download)
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.
Author : Johannes Grotendorst
Publisher :
ISBN 13 : 9783000090585
Total Pages : 85 pages
Book Rating : 4.0/5 (95 download)
Download or read book Quantum simulations of complex many-body systems: from theory to algorithms written by Johannes Grotendorst and published by . This book was released on 2002 with total page 85 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)
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 : 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 : Berni J. Alder
Publisher : Academic Press
ISBN 13 : 1483266982
Total Pages : 294 pages
Book Rating : 4.4/5 (832 download)
Download or read book Special Purpose Computers written by Berni J. Alder and published by Academic Press. This book was released on 2014-05-10 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: Special Purpose Computers describes special-purpose computers and compares them to general-purpose computers in terms of speed and cost. Examples of computers that were designed for the efficient solution of long established algorithms are given, including Navier-Stokes hydrodynamic solvers, classical molecular dynamic machines, and Ising model computers. Comprised of seven chapters, this volume begins by documenting the progress of the CalTech Concurrent Computation Program and its evolution from computational high-energy physics to a supercomputer initiative, with emphasis on the lessons learned including computer architecture issues and the trade-offs between in-house and commercial development. The reader is then introduced to the QCD Machine, a special-purpose parallel supercomputer that was designed and built to solve the lattice quantum chromodynamics problem. Subsequent chapters focus on the Geometry-Defining Processors and their application to the solution of partial differential equations; the Navier-Stokes computer; parallel processing using the Loosely Coupled Array of Processors (LCAP) system; and the Delft Ising system processor. The design and implementation of the Delft molecular-dynamics processor are also described. This book will be of interest to computer engineers and designers.
Author : Rüdiger Esser
Publisher :
ISBN 13 :
Total Pages : 379 pages
Book Rating : 4.:/5 (443 download)
Download or read book Workshop on Molecular Dynamics on Parallel Computers written by Rüdiger Esser and published by . This book was released on 2000 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Stefan Goedecker
Publisher :
ISBN 13 :
Total Pages : 16 pages
Book Rating : 4.E/5 ( download)
Download or read book Tight Binding Molecular Dynamics on Parallel Computers written by Stefan Goedecker and published by . This book was released on 1994 with total page 16 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 : Thomas Peter Gössi
Publisher :
ISBN 13 : 9783896496287
Total Pages : 250 pages
Book Rating : 4.4/5 (962 download)
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:
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 : Peter Deuflhard
Publisher : Springer Science & Business Media
ISBN 13 : 3642583601
Total Pages : 500 pages
Book Rating : 4.6/5 (425 download)
Download or read book Computational Molecular Dynamics: Challenges, Methods, Ideas written by Peter Deuflhard and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: On May 21-24, 1997 the Second International Symposium on Algorithms for Macromolecular Modelling was held at the Konrad Zuse Zentrum in Berlin. The event brought together computational scientists in fields like biochemistry, biophysics, physical chemistry, or statistical physics and numerical analysts as well as computer scientists working on the advancement of algorithms, for a total of over 120 participants from 19 countries. In the course of the symposium, the speakers agreed to produce a representative volume that combines survey articles and original papers (all refereed) to give an impression of the present state of the art of Molecular Dynamics. The 29 articles of the book reflect the main topics of the Berlin meeting which were i) Conformational Dynamics, ii) Thermodynamic Modelling, iii) Advanced Time-Stepping Algorithms, iv) Quantum-Classical Simulations and Fast Force Field and v) Fast Force Field Evaluation.
Author : Daan Frenkel
Publisher : Elsevier
ISBN 13 : 0080519989
Total Pages : 661 pages
Book Rating : 4.0/5 (85 download)
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.
