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The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics (Springer Theses) - Softcover
Synopsis
The framework of Gaussian Approximation Potentials developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The method has already been successfully applied to semiconductors and metals.
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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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The Gaussian Approximation Potential (eng)
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The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics (Springer Theses)
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The Gaussian Approximation Potential
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Springer Berlin Heidelberg, Springer Berlin Heidelberg Okt 2012, 2012
ISBN 10: 3642264263
ISBN 13: 9783642264269
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Taschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -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. 104 pp. Englisch. Seller Inventory # 9783642264269
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The Gaussian Approximation Potential
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Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Describes an important advance in the generation of accurate interatomic potentials The method yields several orders of magnitude faster computations Nominated as an outstanding contribution by the Theory of Condensed Matter Group of Cambri. Seller Inventory # 5054487
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The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics (Springer Theses)
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The Gaussian Approximation Potential
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The Gaussian Approximation Potential | An Interatomic Potential Derived from First Principles Quantum Mechanics
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Taschenbuch. Condition: Neu. The Gaussian Approximation Potential | An Interatomic Potential Derived from First Principles Quantum Mechanics | Albert Bartók-Pártay | Taschenbuch | Springer Theses | xiv | Englisch | 2012 | Springer | EAN 9783642264269 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu. Seller Inventory # 106204687
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Taschenbuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - 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. Seller Inventory # 9783642264269