The following text field will produce suggestions that follow it as you type.

Loading Inventory...

Coles

Ab Initio Molecular Dynamics by Dominik Marx, Paperback | Indigo Chapters

From Dominik Marx

Current price: $77.95
Ab Initio Molecular Dynamics by Dominik Marx, Paperback | Indigo Chapters
Ab Initio Molecular Dynamics by Dominik Marx, Paperback | Indigo Chapters

Coles

Ab Initio Molecular Dynamics by Dominik Marx, Paperback | Indigo Chapters

From Dominik Marx

Current price: $77.95
Loading Inventory...

Size: 1 x 1 x 1

Buy OnlineGet it at Coles
*Product information may vary - to confirm product availability, pricing, shipping and return information please contact Coles
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, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code. | Ab Initio Molecular Dynamics by Dominik Marx, Paperback | Indigo Chapters

More About Coles at Village Green Shopping Centre

Find everything in-store including new, used and children’s books, music, movies, games and toys. Visit Coles today to find the perfect gift, or a novel for yourself. COVID-19 UPDATE: Open | Regular Centre Hours

Powered by Adeptmind