Research and Markets: Computational Methods in Catalysis and Materials Science: an Introduction for Scientists and Engineers

DUBLIN, Ireland--(Business Wire)--
Research and Markets
(http://www.researchandmarkets.com/research/62028e/computational_meth) has
announced the addition of John Wiley and Sons Ltd's new report "Computational
Methods in Catalysis and Materials Science: An Introduction for Scientists and
Engineers" to their offering.

This practical guide describes the basic computational methodologies for
catalysis and materials science at an introductory level, presenting the methods
with relevant applications, such as spectroscopic properties, chemical
reactivity and transport properties of catalytically interesting materials.
Edited and authored by internationally recognized scientists, the text provides
examples that may be considered and followed as state-of-the art.

Key Topics Covered:

* METHODOLOGY
* DFT-Periodic Functional Theory
* Car-Parinello Dynamics
* Hartee-Fock Correlations
* Multiscale Coarse Graining Approaches in Molecular Dynamics
* Molecular Dynamics, Diffusion
* Reactive Force Fields
* Equilibrium Monte Carlo Methods, Zeolites
* Kinetic Monte Carlo
* CATALYSIS AND MATERIALS SCIENCE APPLICATIONS
* NMR Methods
* XAS Spectroscopy Applied to Oxides
* XAS Spectroscopy Applied to Surfaces
* Vibrational Spectroscopy;
* Application Zeolites
* Surface Catalytic Reactivity, Metals
* Surface Catalytic Reactivity, Zeolites
* Scanning tunneling microscopy and spectroscopy simulations reaching chemical
sensitivity
* Excited States (DFT)

For more information visit
http://www.researchandmarkets.com/research/62028e/computational_meth

Laura Wood
Senior Manager
press@researchandmarkets.com
Fax from USA: 646-607-1907
Fax from rest of the world: +353-1-481-1716

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