"Ab initio molecular dynamics" - Information and Links:

Ab initio molecular dynamics

basic theory and advanced methods

Book's cover
The cover of “Ab initio molecular dynamics” - Open Library.

"Ab initio molecular dynamics" is published by Cambridge University Press in 2009 - Cambridge, it has 567 pages and the language of the book is English.


“Ab initio molecular dynamics” Metadata:

  • Title: Ab initio molecular dynamics
  • Author:
  • Language: English
  • Number of Pages: 567
  • Publisher: Cambridge University Press
  • Publish Date:
  • Publish Location: Cambridge

“Ab initio molecular dynamics” Subjects and Themes:

Edition Specifications:

  • Pagination: x, 567 p. :

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AI-generated Review of “Ab initio molecular dynamics”:


"Ab initio molecular dynamics" Table Of Contents:

  • 1- Setting the stage : why ab initio molecular dynamics?
  • 2- Getting started : unifying MD and electronic structure
  • 3- Implementation : using the plane wave basis set
  • 4- Atoms with plane waves : accurate pseudopotentials
  • 5- Beyond standard ab initio molecular dynamics
  • 6- Beyond norm-conserving pseudopotentials
  • 7- Computing properties
  • 8- Parallel computing
  • 9- From materials to biomolecules
  • 10- Properties from ab initio simulations.

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