Gaussian Approximation Potential

Name: Gaussian Approximation Potential
Brand: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
SKU: 9783642140662
Price: 119.82 EUR
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An Interatomic Potential Derived from First Principles Quantum Mechanics

Autor: Albert Bart k-Pártay

Jazyk:

Väzba: Pevná

Vydavateľ: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG

Dostupnosť: Skladom u dodávateľa

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Simulation of materials at the atomistic level is an important tool in studying microscopic structur...

Informácie o knihe

Autor

Albert Bart k-Pártay

Jazyk

Angličtina

Väzba

Kniha - Pevná

Vydalo

2010

Stránok

EAN

9783642140662

ISBN

3642140661

Enbook ID

01656149

Vydavateľ

Springer-Verlag Berlin and Heidelberg GmbH & Co. KG

Hmotnosť

349

Rozmery

160 x 241 x 10

Kompletný popis

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.

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Gaussian Approximation Potential

An Interatomic Potential Derived from First Principles Quantum Mechanics

Informácie o knihe

Kompletný popis

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Zákazníci, ktorí si kúpili túto knihu, kúpili tiež