The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics (Springer Theses) - Softcover

Bartók-Pártay, Albert

 
9783642264269: The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics (Springer Theses)
Softcover
ISBN 10: 3642264263 ISBN 13: 9783642264269
Verlag: Springer, 2012

Inhaltsangabe

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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Von der hinteren Coverseite

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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Verlag
Springer
Erscheinungsdatum
2012
Sprache
Englisch
ISBN 10 
3642264263
ISBN 13 
9783642264269
Einband
Tapa blanda
Anzahl der Seiten
104
Kontakt zum Hersteller
Nicht verfügbar
Verantwortliche Person
CMN Printpool Inh. Mathis Neumann
https://www.also.com/ec/cms5/en_6000/6000/index.jsp

Friedrich-Karl-Str. 9
Hamburg
Deutschland

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9783642140662: The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics: 0 (Springer Theses)

Vorgestellte Ausgabe

ISBN 10:  3642140661 ISBN 13:  9783642140662
Verlag: Springer, 2010
Hardcover