Marx, Dominik. Ab initio molecular dynamics : basic theory and advanced methods / by Dominik Marx, Jürg Hutter. - Cambridge : Cambridge University Press, c2009. - x, 567 p. : ill. ; 26 cm. Includes bibliographical references and index. ISBN: 9781107663534 Subjects--Topical Terms: Molecular dynamics -- Computer simulation. Dewey Class. No.: 541.394 M D A 221