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Ab Initio Molecular Dynamics
Dominik Marx
€ 96.58
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Description for Ab Initio Molecular Dynamics
Hardcover. The first coherent presentation of this rapidly growing field, covering methods and applications for graduate students and researchers. Num Pages: 578 pages, 35 b/w illus. BIC Classification: PHFC; UY. Category: (UP) Postgraduate, Research & Scholarly. Dimension: 254 x 182 x 32. Weight in Grams: 1278.
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 systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, ... Read more
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 systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, ... Read more
Product Details
Format
Hardback
Publication date
2009
Publisher
Cambridge University Press United Kingdom
Number of pages
578
Condition
New
Number of Pages
578
Place of Publication
Cambridge, United Kingdom
ISBN
9780521898638
SKU
V9780521898638
Shipping Time
Usually ships in 4 to 8 working days
Ref
99-1
About Dominik Marx
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 ... Read more
Reviews for Ab Initio Molecular Dynamics
Review of the hardback: '… 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 book is] written clearly and informed by the state-of-the-art research experiences of the authors themselves. Reading it is a valuable experience akin to spending time in their research ... Read more