عنوان

Computational materials science :

(Number (ISBN

3662565404

(Number (ISBN

3662565412

(Number (ISBN

3662565420

(Number (ISBN

3662585871

(Number (ISBN

9783662565407

(Number (ISBN

9783662565414

(Number (ISBN

9783662565421

(Number (ISBN

9783662585870

Erroneous ISBN

9783662565407

Title Proper

Computational materials science :

General Material Designation

[Book]

Other Title Information

from Ab Initio to Monte Carlo methods /

First Statement of Responsibility

Kaoru Ohno, Keivan Esfarjani, Yoshiyuki Kawazoe.

Edition Statement

Second edition.

Place of Publication, Distribution, etc.

Berlin, Germany :

Name of Publisher, Distributor, etc.

Springer,

Date of Publication, Distribution, etc.

2018.

Specific Material Designation and Extent of Item

1 online resource (xii, 425 pages)

Text of Note

Includes bibliographical references and index.

Text of Note

Ab-Initio Methods -- Tight-Binding Methods -- Empirical Methods and Coarse-Graining -- Monte Carlo Methods -- Quantum Monte Carlo (QMC) Methods.

0

Text of Note

This textbook introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations enabling to calculate the physical and chemical properties 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. Problems and solutions are provided to facilitate understanding. Readers will gain sufficient knowledge to begin theoretical studies in modern materials research. This second edition includes a lot of recent theoretical techniques in materials research. With the computers power now available, it is possible to use these numerical techniques to study various physical and chemical properties of complex materials from first principles. The new edition also covers empirical methods, such as tight-binding and molecular dynamics.

Source for Acquisition/Subscription Address

Springer Nature

Stock Number

com.springer.onix.9783662565421

International Standard Book Number

9783662565407

Materials-- Computer simulation.

Materials-- Mathematical models.

Materials-- Computer simulation.

Materials-- Mathematical models.

TEC008080

TEC021000

TJFD

TJFD

Number

Edition

Class number

Ohno, K., (Kaoru),1955-

Esfarjani, K., (Keivan),1964-

Kawazoe, Y., (Yoshiyuki),1947-

Date of Transaction

20200823191341.0

Cataloguing Rules (Descriptive Conventions))

pn

Electronic name

[Book]

Y