Ab initio molecular dynamics : basic theory and advanced methods /

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.

9781107663534


Molecular dynamics -- Computer simulation.

541.394 M D A 221

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