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The art of molecular dynamics simulation / D. C. Rapaport.

By: Rapaport, D. C.
Material type: materialTypeLabelBookPublisher: Cambridge ; New York : Cambridge University Press, 2004Edition: 2nd ed.Description: xiii, 549 p. : ill. ; 26 cm.ISBN: 0521825687 (hardback).Subject(s): Condensed matter -- Computer simulation | Molecular dynamics -- Computer simulation | | Generalities Engineering, Chemical Engineering, General November2018Genre/Form: -- Reading bookDDC classification: 539.6 Online resources: Publisher description | Table of contents
Contents:
Cover; Half-title; Title; Copyright; Contents; Preface to the first edition; Preface to the second edition; About the software; 1 Introduction; 2 Basic molecular dynamics; 3 Simulating simple systems; 4 Equilibrium properties of simple fluids; 5 Dynamical properties of simple fluids; 6 Alternative ensembles; 7 Nonequilibrium dynamics; 8 Rigid molecules; 9 Flexible molecules; 10 Geometrically constrained molecules; 11 Internal coordinates; 12 Many-body interactions; 13 Long-range interactions; 14 Step potentials; 15 Time-dependent phenomena; 16 Granular dynamics.
Summary: The extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. The second edition of the book includes a substantial amount of new material as well as completely rewritten software.
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Item type Current location Collection Call number Status Date due Barcode Item holds
Book - Borrowing Book - Borrowing Central Library
First floor
Baccah 539.6 RAP (Browse shelf) Available 000043739
Total holds: 0

Includes bibliographical references (p. 519-531) and indexes.

Cover; Half-title; Title; Copyright; Contents; Preface to the first edition; Preface to the second edition; About the software; 1 Introduction; 2 Basic molecular dynamics; 3 Simulating simple systems; 4 Equilibrium properties of simple fluids; 5 Dynamical properties of simple fluids; 6 Alternative ensembles; 7 Nonequilibrium dynamics; 8 Rigid molecules; 9 Flexible molecules; 10 Geometrically constrained molecules; 11 Internal coordinates; 12 Many-body interactions; 13 Long-range interactions; 14 Step potentials; 15 Time-dependent phenomena; 16 Granular dynamics.

The extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. The second edition of the book includes a substantial amount of new material as well as completely rewritten software.

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