Computational Materials Science: From Ab Initio to Monte Carlo Methods

Ohno, Kaoru, Esfarjani, Keivan, Kawazoe, Yoshiyuki

ISBN 10: 3540639616 / ISBN 13: 9783540639619

Verlag: Springer, 2000

Beschreibung

Computational Materials Science: From Ab Initio to Monte Carlo Methods | Ohno, Kaoru, Esfarjani, Keivan, Kawazoe, Yoshiyuki | Springer, 1999. In-8° cartonné, 324 pages. Couverture propre. Dos solide. Intérieur frais sans soulignage ou annotation. Exemplaire de bibliothèque : petit code barre en pied de 1re de couv., cotation au dos, rares et discrets petits tampons à l'intérieur de l'ouvrage. Très bon état général pour cet exemplaire . [Ba 46]. Bestandsnummer des Verkäufers 3Y-PG62-B2EN

Bibliografische Details

Titel: Computational Materials Science: From Ab ...

Verlag: Springer

Erscheinungsdatum: 2000

Einband: Hardcover

Zustand: Très bon

Über diesen Titel

Inhaltsangabe:

Powerful computers now enable scientists to model the physical and chemical properties and behavior of complex materials using first principles. This book introduces dramatically new computational techniques in materials research, specifically for understanding molecular dynamics.

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This book introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations that enable the physical and chemical properties to be revealed by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tight-binding and classical potential methods are briefly introduced to indicate how one can increase the number of atoms in the system. In the second half of the book, Monte Carlo simulation is discussed in detail. Readers can gain sufficient knowledge to begin theoretical studies in modern materials research.