Large Scale Computational Physics On Massively Parallel Computers
Large Scale Computational Physics On Massively Parallel Computers

Author: Hans J Herrmann

Publisher: World Scientific

Published: 1993-12-27

Total Pages: 296

ISBN-13: 9814552038

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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:

Numerical Simulation in Molecular Dynamics
Numerical Simulation in Molecular Dynamics

Author: Michael Griebel

Publisher: Springer Science & Business Media

Published: 2007-08-16

Total Pages: 472

ISBN-13: 3540680950

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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.

Supercomputing for Molecular Dynamics Simulations
Supercomputing for Molecular Dynamics Simulations

Author: Alexander Heinecke

Publisher: Springer

Published: 2015-03-30

Total Pages: 83

ISBN-13: 3319171488

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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.

Computer Simulation in Physics and Engineering
Computer Simulation in Physics and Engineering

Author: Martin Oliver Steinhauser

Publisher: Walter de Gruyter

Published: 2012-12-06

Total Pages: 532

ISBN-13: 3110256061

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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.

Molecular Dynamics
Molecular Dynamics

Author: Perla Balbuena

Publisher: Elsevier

Published: 1999-04-22

Total Pages: 971

ISBN-13: 0080536840

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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 solidsAlthough 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.

High Performance Computing Systems and Applications
High Performance Computing Systems and Applications

Author: Douglas J. K. Mewhort

Publisher: Springer Science & Business Media

Published: 2010-04-23

Total Pages: 429

ISBN-13: 3642126588

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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.

Computational Statistical Mechanics
Computational Statistical Mechanics

Author: W.G. Hoover

Publisher: Elsevier

Published: 2012-12-02

Total Pages: 330

ISBN-13: 0444596593

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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.

Molecular Dynamics On Parallel Computers
Molecular Dynamics On Parallel Computers

Author: Peter Grassberger

Publisher: World Scientific

Published: 2000-02-22

Total Pages: 395

ISBN-13: 9814493554

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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.

High Performance Computing on Vector Systems 2006
High Performance Computing on Vector Systems 2006

Author: Thomas Bönisch

Publisher: Springer Science & Business Media

Published: 2007-05-31

Total Pages: 182

ISBN-13: 3540687432

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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.