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The Gaussian Approximation Potential

An Interatomic Potential Derived from First Principles Quantum Mechanics

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Éditeur :

Springer


Collection :

Springer Theses

Paru le : 2010-07-27



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Description
Simulation of materials at the atomistic level is an important tool in studying microscopic structures and processes. The atomic interactions necessary for the simulations are correctly described by Quantum Mechanics, but the size of systems and the length of processes that can be modelled are still limited. The framework of Gaussian Approximation Potentials that is developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The resulting potentials offer several orders of magnitude faster computations, while maintaining quantum mechanical accuracy. The method has already been successfully applied for semiconductors and metals.
Pages
90 pages
Collection
Springer Theses
Parution
2010-07-27
Marque
Springer
EAN papier
9783642140662
EAN EPUB
9783642140679
Informations sur l'ebook
Nombre pages copiables
0
Nombre pages imprimables
9
Taille du fichier
1413 Ko
Ce livre est accessible aux handicaps Voir les informations sur l'accessibilité
Prix
116,04 €

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