| Description |
1 online resource (579 pages) |
| Physical Medium |
polychrome |
| Description |
text file |
| Contents |
Cover; Half-title; Title; Copyright; Contents; Preface; 1 Setting the stage: why ab initio molecular dynamics?; Part I Basic techniques; 2 Getting started: unifying molecular dynamics and electronic structure; 3 Implementation: using the plane wave basis set; 4 Atoms with plane waves: accurate pseudopotentials; Part II Advanced techniques; 5 Beyond standard ab initio molecular dynamics; 6 Beyond norm-conserving pseudopotentials; 7 Computing properties; 8 Parallel computing; Part III Applications; 9 From materials to biomolecules; 10 Properties from ab initio simulations; 11 Outlook. |
|
BibliographyIndex. |
| Summary |
The first book on this rapidly growing field for graduate students and researchers, covering a range of methods and applications. |
| Local Note |
eBooks on EBSCOhost EBSCO eBook Subscription Academic Collection - North America |
| Subject |
Molecular dynamics -- Computer simulation.
|
|
Molecular dynamics -- Computer simulation. |
|
Molecular dynamics. |
| Genre/Form |
Electronic books.
|
| Added Author |
Hutter, Jürg.
|
| Other Form: |
9780521898638 |
| ISBN |
9780511533334 (electronic book) |
|
0511533330 (electronic book) |
|
9780521898638 |
|
0521898633 |
|
