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The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics (Springer Theses) - Hardcover
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.
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Review
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“This book is actually an account of the Ph.D. work of the author, and is aimed at practitioners of molecular simulation (physicists and materials scientists, mostly) who want to construct reliable empirical force fields parameterized by data obtained from equilibrium quantum mechanical computations.” (Gabriel Stoltz, Mathematical Reviews, Issue 2011 j)"About this title" may belong to another edition of this title.
- PublisherSpringer
- Publication date2010
- ISBN 10 3642140661
- ISBN 13 9783642140662
- BindingHardcover
- LanguageEnglish
- Number of pages104
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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 : An Interatomic Potential Derived from First Principles Quantum Mechanics
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ISBN 10: 3642140661
ISBN 13: 9783642140662
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The Gaussian Approximation Potential
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Springer Berlin Heidelberg Aug 2010, 2010
ISBN 10: 3642140661
ISBN 13: 9783642140662
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Buch. 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 # 9783642140662
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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 : An Interatomic Potential Derived from First Principles Quantum Mechanics
Published by
Springer Berlin Heidelberg, 2010
ISBN 10: 3642140661
ISBN 13: 9783642140662
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Hardcover
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Buch. 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 # 9783642140662
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The Gaussian Approximation Potential
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ISBN 13: 9783642140662
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Gebunden. 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 # 5050389
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The Gaussian Approximation Potential
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