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Molecular Dynamics Simulation
Elementary Methods

J. M. Haile
About the author
Selected quotations


An introduction to molecular-scale computer simulations of matter by the molecular dynamics method. Emphasis is on how simulations are performed, why they work, advantages and limitations, pitfalls to avoid. Includes listings of complete simulation codes in Fortran, accompanied by detailed documentation.



About The Book
  • ISBN 0-471-18439-X
  • Size: 6.125 x 9.25 (inches)
  • Paperback; 509 pages
  • Published: 1997 by John Wiley & Sons
MDS cover

Inside
Cataloging
  • Dewey number: 532'.05
  • LC classification: QC168.7.H35 1992
  • LC subject heads: Molecular dynamics—Computer simulation
Journal of the American Chemical Society
A very useful introduction … more interesting to read that the often dry equation-based texts.
Journal of Molecular Structure
Provides a lot of reading pleasure and many new insights.
Contemporary Physics
This is the most entertaining, stimulating and useful book which can be thoroughly recommended to anyone with an interest in computer simulation.
D. Fincham in CCP5 Newsletter
Haile can be read with profit by beginners and experts alike.
F. Ercolessi in A Molecular Dynamics Primer
[Haile's book is] An excellent … general introduction to molecular dynamics. … very deep in explaining the fundamentals, including "philosophical" aspects. Probably the best starting point.
Anonymous Reader at Amazon.com
As it's name implies this book covers only elementary methods, and this makes it extremely useful for beginners. Particularly higher undergraduate and graduate students with no previous knowledge of computer simulation methods. It is very kind with the reader, being very explicit on many topics other books take for granted. The sections on hard sphere simulation are particularly long compared with other books on the subject. The code included is very well organized and helpful, every book should have it documented this way!