The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics - Couverture souple

Bart�k-P�rtay, Albert

9783642264269: The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics

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ISBN 10 : 3642264263 ISBN 13 : 9783642264269

Editeur : Springer, 2012

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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.

Les informations fournies dans la section � A propos du livre � peuvent faire r�f�rence � une autre �dition de ce titre.

�diteur: Springer
Date d'�dition: 2012
Langue: anglais
ISBN 10: 3642264263
ISBN 13: 9783642264269
Reliure: Broch�
Nombre de pages: 104
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9783642140662: 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

Albert Bart�k-P�rtay

Edit� par Springer Berlin Heidelberg Okt 2012, 2012

ISBN 10 : 3642264263 ISBN 13 : 9783642264269

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Taschenbuch. Etat : 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. N� de r�f. du vendeur 9783642264269

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The Gaussian Approximation Potential

Albert Bart�k-P�rtay

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ISBN 10 : 3642264263 ISBN 13 : 9783642264269

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Etat : 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. N� de r�f. du vendeur 5054487

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

Albert Bart�k-P�rtay

Edit� par Springer Berlin Heidelberg, Springer Berlin Heidelberg, 2012

ISBN 10 : 3642264263 ISBN 13 : 9783642264269

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Taschenbuch. Etat : 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. N� de r�f. du vendeur 9783642264269

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The Gaussian Approximation Potential

Albert Bart�k-P�rtay

Edit� par Springer Berlin Heidelberg, Springer Berlin Heidelberg Okt 2012, 2012

ISBN 10 : 3642264263 ISBN 13 : 9783642264269

Neuf Taschenbuch

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Vendeur : buchversandmimpf2000, Emtmannsberg, BAYE, Allemagne

�valuation du vendeur 5 sur 5 �toiles

Taschenbuch. Etat : Neu. This item is printed on demand - Print on Demand Titel. 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.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 104 pp. Englisch. N� de r�f. du vendeur 9783642264269

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