The Gaussian Approximation Potential | An Interatomic Potential Derived from First Principles Quantum Mechanics

Albert Bartók-Pártay

ISBN 10: 3642140661 / ISBN 13: 9783642140662

Published by Springer-Verlag GmbH, 2010

About this Item

The Gaussian Approximation Potential | An Interatomic Potential Derived from First Principles Quantum Mechanics | Albert Bartók-Pártay | Buch | xiv | Englisch | 2010 | Springer-Verlag GmbH | EAN 9783642140662 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu Print on Demand.

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Bibliographic Details

• Title: The Gaussian Approximation Potential | An Interatomic Potential Derived from First Principles Quantum Mechanics
• Publisher: Springer-Verlag GmbH
• Publication Date: 2010
• Language: English
• ISBN 10: 3642140661
• ISBN 13: 9783642140662
• Binding: Buch
• Condition: Neu
• Dimensions: 241W x 160H x 10D millimeters 241 millimeters width by 160 millimeters height by 10 millimeters depth
• Weight: 349 grams
• Seller catalogs:
  • Bücher

About this title

Synopsis

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.