AB Initio Molecular Dynamics : Basic Theory and Advanced Methods

Marx, Dominik; Hutter, Jurg

ISBN 10: 1107663539 / ISBN 13: 9781107663534

Editore: Cambridge University Press, 2012

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Dati bibliografici

• Titolo: AB Initio Molecular Dynamics : Basic Theory and Advanced Methods
• Editore: Cambridge University Press
• Data di pubblicazione: 2012
• Lingua: Inglese
• ISBN 10: 1107663539
• ISBN 13: 9781107663534
• Rilegatura: Brossura
• Condizione: New

Descrizione articolo

Riassunto

The first coherent presentation of this rapidly growing field, covering methods and applications for graduate students and researchers.

Informazioni sugli autori

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.

Jürg Hutter is a Professor at the Physical Chemistry Institute at the University of Zürich in Switzerland, where he researches problems in theoretical chemistry, in particular, methods for large-scale density functional calculations.