Author: Dominik Marx
Edition: 1
Binding: Hardcover
ISBN: 0521898633
Publisher: Cambridge University Press
Features:
Edition: 1
Binding: Hardcover
ISBN: 0521898633
Publisher: Cambridge University Press
Features:
Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods
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. Search and download computer ebooks Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods for free.
Categories: Molecular dynamics->Computer simulation. Contributors: Dominik Marx - Author. Format: Paperback. Download Ab Initio Molecular Dynamics computer ebooks
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, correcting various misconceptions
Ab Initio Molecular Dynamics
Ab Initio Molecular Dynamics: Dominik Marx, J?rg Hutter
Categories: Molecular dynamics->Computer simulation. Contributors: Dominik Marx - Author. Format: Hardcover
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
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 in order that readers can understand and assess the me
Ab Initio Molecular Dynamics Free
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
It also discusses the special features of the widely used Car-Parrinello approach, correcting various misconceptions
