Description

Book Synopsis
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


Table of Contents
Fundamentals.

Hard Spheres.

Finite-Difference Methods.

Soft Spheres.

Static Properties.

Dynamic Properties.

Appendices.

Notation.

Bibliography.

Index.

Molecular Dynamics Simulation

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    A Paperback / softback by J. M. Haile

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      Book details

      Publisher John Wiley & Sons Inc
      Published 18 April 1997
      ISBN-13 9780471184393
      978-0471184393
      ISBN-10 047118439X
      Also in:
      Biochemistry Scientific equipment, experiments and techniques Wave mechanics

      Description

      Book Synopsis
      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


      Table of Contents
      Fundamentals.

      Hard Spheres.

      Finite-Difference Methods.

      Soft Spheres.

      Static Properties.

      Dynamic Properties.

      Appendices.

      Notation.

      Bibliography.

      Index.

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