AB Initio Molecular Dynamics: Basic Theory and Advanced Methods

by

Write The First Customer Review

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 ...

Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods 2012, Cambridge University Press, Cambridge

ISBN-13: 9781107663534

Trade paperback

Select
Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods 2009, Cambridge University Press, Cambridge

ISBN-13: 9780521898638

Hardcover

Select