Dominik Marx (Ruhr-Universitat, Bochum, Germany), Jurg Hutter (Universitat Zurich)

Gebundenes Buch

Ab Initio Molecular Dynamics

Basic Theory and Advanced Methods

Beschreibung

Providing the first coherent presentation of this rapidly growing field, this book covers a range of methods and their applications. Ideal for graduate students and researchers, it contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing readers to improve and add new features in their code.

Autor

Dominik Marx is Chair of Theoretical Chemistry at Ruhr-Universität, Bochum, Germany. His main areas of research are in studying the dynamics and reactions of complex molecular many-body systems and the development of novel ab initio simulation techniques.

Produktdetails

• Verlag: Cambridge University Press
• Seitenzahl: 578
• Erscheinungstermin: 7. September 2011
• Englisch
• Abmessung: 260mm x 183mm x 35mm
• Gewicht: 1280g
• ISBN-13: 9780521898638
• ISBN-10: 0521898633
• Artikelnr.: 25307417