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The Gaussian Approximation Potential on Hardback by Albert Bartok-Partay
The Gaussian Approximation Potential on Hardback by Albert Bartok-Partay
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The Gaussian Approximation Potential

An Interatomic Potential Derived from First Principles Quantum Mechanics
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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.
Release date Australia
August 6th, 2010
Audience
  • Professional & Vocational
Illustrations
2 Illustrations, color; 29 Illustrations, black and white; XIV, 90 p. 31 illus., 2 illus. in color.
Pages
90
Dimensions
155x235x13
ISBN-13
9783642140662
Product ID
8098521

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The Gaussian Approximation Potential by Albert Bartok-Partay
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The Gaussian Approximation Potential
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