Product Description
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 contain… More >>
Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods
Tags: ab initio, basic theory, chemical reactions, coherent presentation, complex molecular systems, computer simulation, electronic structure theory, graduate students, initio molecular dynamics, realistic computer