Computational Materials Science : From Ab Initio to Monte Carlo Methods

Kawazoe, Yoshiyuki, Esfarjani, Keivan, Ohno, Kaoru

ISBN 10: 3540639616 / ISBN 13: 9783540639619

Published by Springer, 1999

About this Item

Former library book; may include library markings. Used book that is in clean, average condition without any missing pages. Seller Inventory # 40243679-75

Bibliographic Details

Title: Computational Materials Science : From Ab ...

Publisher: Springer

Publication Date: 1999

Binding: Hardcover

Condition: Good

Edition: 1st Edition.

About this title

Synopsis:

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.

From the Back Cover:

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.