ab Initio

Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods (Repost)  eBooks & eLearning

Posted by step778 at Aug. 26, 2016
Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods (Repost)

Dominik Marx, Jürg Hutter, "Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods"
2009 | pages: 580 | ISBN: 0521898633 | PDF | 3,2 mb

Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides  eBooks & eLearning

Posted by AlenMiler at Aug. 7, 2016
Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides

Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides (Springer Theses) by Yusuke Nomura
English | 23 Aug. 2016 | ISBN: 9811014418 | 164 Pages | PDF (True) | 3.79 MB

This book covers high-transition temperature (Tc) s-wave superconductivity and the neighboring Mott insulating phase in alkali-doped fullerides.
Advances in Chemical Physics: AB INITIO Methods in Quantum Chemistry 2 Volume 67 Edition

Advances in Chemical Physics: AB INITIO Methods in Quantum Chemistry 2 (Volume 67) by K. P. Lawley
English | May 20, 1987 | ISBN: 0471909017 | 591 Pages | PDF | 30 MB

The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline.
A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory

A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory by Yukio Yamaguchi, John D. Goddard, Yoshihiro Osamura, Henry Schaefer
English | 1994 | ISBN: 0195070283 | 496 pages | PDF | 11,9 MB

Theoretical Modeling of Inorganic Nanostructures: Symmetry and ab-initio Calculations of Nanolayers, Nanotubes and Nanowires

Theoretical Modeling of Inorganic Nanostructures: Symmetry and ab-initio Calculations of Nanolayers, Nanotubes and Nanowires By R.A. Evarestov
2015 | 688 Pages | ISBN: 3662445808 | PDF | 35 MB
Polarization Effects in Semiconductors: From Ab Initio Theory to Device Applications

Polarization Effects in Semiconductors: From Ab Initio Theory to Device Applications
by Colin Wood, Debdeep Jena
English | 2007 | ISBN: 0387368310 | 515 pages | PDF | 33.83 MB

Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods  eBooks & eLearning

Posted by viserion at Dec. 30, 2013
Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods

Dominik Marx, Jurg Hutter, "Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods"
ISBN: 0521898633, 1107663539 | 2009 | PDF | 578 pages | 3 MB

Computational Materials Science: From Ab Initio to Monte Carlo Methods  eBooks & eLearning

Posted by gosiaiza at Feb. 7, 2007
Computational Materials Science: From Ab Initio to Monte Carlo Methods

Computational Materials Science: From Ab Initio to Monte Carlo Methods
325 pages | Springer; 1 edition (May 16, 2000) | English | ISBN-10: 3540639616 | ISBN-13: 978-3540639619 | PDF |
4.5 MB

Molecular Electronic-Structure Theory (repost)  eBooks & eLearning

Posted by interes at Dec. 13, 2016
Molecular Electronic-Structure Theory (repost)

Molecular Electronic-Structure Theory by Trygve Helgaker, Poul Jorgensen, Jeppe Olsen
English | 2013 | ISBN: 1118531477 | 944 pages | PDF | 67 MB

Multiscale Modeling: From Atoms to Devices  eBooks & eLearning

Posted by leonardo78 at Jan. 7, 2016
Multiscale Modeling: From Atoms to Devices

Multiscale Modeling: From Atoms to Devices by Pedro Derosa, Tahir Cagin
Publisher: CRC Press | 2010 | ISBN: 1439810397 | 275 pages | PDF | 11,4 MB

While the relevant features and properties of nanosystems necessarily depend on nanoscopic details, their performance resides in the macroscopic world. To rationally develop and accurately predict performance of these systems we must tackle problems where multiple length and time scales are coupled. Rather than forcing a single modeling approach to predict an event it was not designed for, a new paradigm must be employed: multiscale modeling.