The art of molecular dynamics simulation / D. C. Rapaport.
Material type: TextPublication details: Cambridge ; New York : Cambridge University Press, 2004.Edition: 2nd edDescription: xiii, 549 p. : ill. ; 26 cmContent type:- text
- unmediated
- volume
- 0521825687 (hardback)
- 539.6 RAP 22
Item type | Current library | Collection | Call number | Status | Date due | Barcode | Item holds |
---|---|---|---|---|---|---|---|
Book - Borrowing | Central Library First floor | Baccah | 539.6 RAP (Browse shelf(Opens below)) | Available | 000043739 |
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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