Ab initio molecular dynamics : basic theory and advanced methods /
by Marx, Dominik; Hutter, Jürg.
Material type:
BookPublisher: Cambridge ; New York : Cambridge University Press, 2009Description: x, 567 p. : ill. ; 26 cm.ISBN: 9780521898638; 0521898633.Subject(s): Molecular dynamics -- Computer simulationOnline resources: Contributor biographical information | Publisher description | Table of contents only
Contents:
Setting the stage : why ab initio molecular dynamics? -- Getting started : unifying MD and electronic structure -- Implementation : using the plane wave basis set -- Atoms with plane waves : accurate pseudopotentials -- Beyond standard ab initio molecular dynamics -- Beyond norm-conserving pseudopotentials -- Computing properties -- Parallel computing -- From materials to biomolecules -- Properties from ab initio simulations.
| Item type | Current location | Collection | Call number | Copy number | Status | Date due | Barcode |
|---|---|---|---|---|---|---|---|
Books
|
Dhaka University Science Library General Stacks | Non Fiction | 531.11 MAA (Browse shelf) | 1 | Available | 471788 | |
|
Books
|
Dhaka University Science Library General Stacks | Non Fiction | 531.11 MAA (Browse shelf) | 2 | Available | 471789 | |
|
Books
|
Dhaka University Science Library General Stacks | Non Fiction | 531.11 MAA (Browse shelf) | 3 | Available | 474060 | |
|
Books
|
Dhaka University Science Library General Stacks | Non Fiction | 531.11 MAA (Browse shelf) | 4 | Available | 474061 |
Browsing Dhaka University Science Library Shelves , Shelving location: General Stacks , Collection code: Non Fiction Close shelf browser
|
|
|
|
|
|
|
||
| 531.11 JOC Classical dynamics : | 531.11 MAA Ab initio molecular dynamics : | 531.11 MAA Ab initio molecular dynamics : | 531.11 MAA Ab initio molecular dynamics : | 531.11 MAA Ab initio molecular dynamics : | 531.11 PAD Dynamics / | 531.11 SUC Classical dynamics: |
Includes bibliographical references (p. 419-549) and index.
Setting the stage : why ab initio molecular dynamics? -- Getting started : unifying MD and electronic structure -- Implementation : using the plane wave basis set -- Atoms with plane waves : accurate pseudopotentials -- Beyond standard ab initio molecular dynamics -- Beyond norm-conserving pseudopotentials -- Computing properties -- Parallel computing -- From materials to biomolecules -- Properties from ab initio simulations.
There are no comments for this item.