Ab Initio Molecular Dynamics - Dominik Marx,Jürg Hutter
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Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fa ... Full description
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Description
More Information
| Author | Dominik Marx, Jürg Hutter |
|---|---|
| Publisher | Cambridge University Press |
| Release year | 2012 |
| Cover type | Softcover |
| EAN | 9781107663534 |