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Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods

Dominik Marx, Jürg Hutter




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 | #2124518 in Books |  Cambridge University Press |  2009-05-25 | Original language:English | PDF # 1 |  9.72 x1.26 x6.85l,2.79 | File type: PDF | 578 pages

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||4 of 4 people found the following review helpful.| Best Overview of QMD|By Cheryl A. Laidig|This is the best introductory/survey available for quantum molecular dynamics. I am knowledgeable in tradition quantum chemistry and classical MD, but am a novice in QMD. This book straightened out several misconceptions I had. It is readable and starts from the basics. Advanced undergrads and graduate students in chemistry, physics,| |"A student or newcomer to the field of molecular dynamics will find the approaches discussed in Ab Initio Molecular Dynamics a good place to start. The text is written clearly and informed by the state-of-the-art research experiences of the authors themselves.

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 fascinating text for graduate students and researchers contains sys...

You easily download any file type for your gadget.Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods   |  Dominik Marx, Jürg Hutter. I really enjoyed this book and have already told so many people about it!

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