Molecular Dynamics Simulation Books

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Molecular Dynamics Simulation


Molecular Dynamics Simulation
  • Author : Giovanni Ciccotti
  • Publisher : MDPI
  • Release : 2018-10-08
  • ISBN : 9783906980652
  • Language : En, Es, Fr & De
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Printed Edition of the Special Issue Published in Entropy

The Art of Molecular Dynamics Simulation


The Art of Molecular Dynamics Simulation
  • Author : D. C. Rapaport
  • Publisher : Cambridge University Press
  • Release : 2004-04
  • ISBN : 0521825687
  • Language : En, Es, Fr & De
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First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.

Molecular Dynamics Simulation


Molecular Dynamics Simulation
  • Author : J. M. Haile
  • Publisher : Wiley-Interscience
  • Release : 1997-03-14
  • ISBN : 047118439X
  • Language : En, Es, Fr & De
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"Provides a lot of reading pleasure and many new insights." -Journal of Molecular Structure "This is the most entertaining, stimulating and useful book which can be thoroughly recommended to anyone with an interest in computer simulation." -Contemporary Physics "A very useful introduction . . . more interesting to read than the often dry equation-based texts." -Journal of the American Chemical Society Written especially for the novice, Molecular Dynamics Simulation demonstrates how molecular dynamics simulations work and how to perform them, focusing on how to devise a model for specific molecules and then how to simulate their movements using a computer. This book provides a collection of methods that until now have been scattered through the literature of the last 25 years. It reviews elements of sampling theory and discusses how modern notions of chaos and nonlinear dynamics explain the workings of molecular dynamics. Stresses easy-to-use molecules * Provides sample calculations and figures * Includes four complete FORTRAN codes

Molecular Dynamics


Molecular Dynamics
  • Author : Perla Balbuena
  • Publisher : Elsevier
  • Release : 1999-04-22
  • ISBN : 0080536840
  • Language : En, Es, Fr & De
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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 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.

Numerical Simulation in Molecular Dynamics


Numerical Simulation in Molecular Dynamics
  • Author : Michael Griebel
  • Publisher : Springer Science & Business Media
  • Release : 2007-08-16
  • ISBN : 9783540680956
  • Language : En, Es, Fr & De
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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.