Kaikki kirjat 35 % alennuksella koodilla: BOOKS

  • check Yli 10 miljoonaa kirjaa
  • check Uutuuksia joka päivä
  • check Yli 1 miljoona asiakasta luottaa meihin
  • check Hyvät hinnat ja alennukset
  • check Toimitus koko Eurooppaan

Ab Initio Molecular Dynamics - Dominik Marx,Jürg Hutter

englanti
2012-10-04
108,73 € 167,28 €

-35% koodilla BOOKS

Toimittajalla varastossa

Toimitus 15-21 arkipäivässä

30 päivän palautusoikeus

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 fa ... Täydellinen kuvaus

Saatat myös pitää

Kuvaus

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.

Lisätietoja

Kirjoittaja Dominik Marx, Jürg Hutter
Julkaisija Cambridge University Press
Julkaisuvuosi 2012
Kannen tyyppi Pehmeäkantinen
EAN 9781107663534
Kirjoita oma arvostelusi
Arvostelet: Ab Initio Molecular Dynamics
Arvostelusi:

Goodreads-arvostelut

108,73 € 167,28 €