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Ab Initio Molecular Dynamics : Basic Theory and Advanced Methods.
The first book on this rapidly growing field for graduate students and researchers, covering a range of methods and applications.
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Leiden :
Cambridge University Press,
2009.
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| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 100 | 1 | |a Marx, Dominik. | |
| 245 | 1 | 0 | |a Ab Initio Molecular Dynamics : |b Basic Theory and Advanced Methods. |
| 260 | |a Leiden : |b Cambridge University Press, |c 2009. | ||
| 300 | |a 1 online resource (579 pages) | ||
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| 505 | 0 | |a 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. | |
| 505 | 8 | |a BibliographyIndex. | |
| 520 | |a The first book on this rapidly growing field for graduate students and researchers, covering a range of methods and applications. | ||
| 588 | 0 | |a Print version record. | |
| 590 | |a eBooks on EBSCOhost |b EBSCO eBook Subscription Academic Collection - Worldwide | ||
| 650 | 0 | |a Molecular dynamics |x Computer simulation. | |
| 650 | 6 | |a Dynamique moléculaire |x Simulation par ordinateur. | |
| 650 | 7 | |a Molecular dynamics |x Computer simulation. |2 fast |0 (OCoLC)fst01024779 | |
| 700 | 1 | |a Hutter, Jürg. | |
| 776 | 1 | |z 9780521898638 | |
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