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 text provides a presentation of this rapidly growing field Providing the first coherent presentation of this rapidly growing field, this book covers a range of methods and their applications. Ideal for graduate students and researchers, it contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing readers to improve and add new features in their code.
Ik heb een vraag over het boek: ‘Ab Initio Molecular Dynamics - Marx, Dominik (Ruhr-Universitat, Bochum, Germany), Hutter, Jurg (Universitat Zurich)’.
Vul het onderstaande formulier in.
We zullen zo spoedig mogelijk antwoorden.
