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The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics
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(Buch) |
Dieser Artikel gilt, aufgrund seiner Grösse, beim Versand als 3 Artikel!
Lieferstatus: |
Auf Bestellung (Lieferzeit unbekannt) |
Veröffentlichung: |
Oktober 2012
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Genre: |
Naturwissensch., Medizin, Technik |
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Atomic & molecular physics /
Atomic, Molecular, Optical and Plasma Physics /
Atoms /
B /
Electronic Devices /
Mathematical physics /
Physics /
Physics and Astronomy /
Quantum Physics /
Solid State Physics /
Spectrum analysis, spectrochemistry, mass spectrometry /
Theoretical, Mathematical and Computational Physics |
ISBN: |
9783642264269 |
EAN-Code:
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9783642264269 |
Verlag: |
Springer Nature EN |
Einband: |
Kartoniert |
Sprache: |
English
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Serie: |
Springer Theses |
Dimensionen: |
H 235 mm / B 155 mm / D |
Gewicht: |
172 gr |
Seiten: |
90 |
Illustration: |
XIV, 90 p. 31 illus., 2 illus. in color., schwarz-weiss Illustrationen, farbige Illustrationen |
Zus. Info: |
Previously published in hardcover |
Bewertung: |
Titel bewerten / Meinung schreiben
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Inhalt: |
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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