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Computational Materials Science
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kr 349
Computational Materials Science

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.

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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.

Produktdetaljer
Sprog: Engelsk
Sider: 427
ISBN-13: 9783662565407
Indbinding: Hardback
Udgave:
ISBN-10: 3662565404
Udg. Dato: 23 apr 2018
Længde: 29mm
Bredde: 239mm
Højde: 162mm
Oplagsdato: 23 apr 2018
Forfatter(e) Keivan Esfarjani, Yoshiyuki Kawazoe, Kaoru Ohno


Kategori Spektralanalyse, spektrokemi, massespektrometri


Sprog Engelsk


Indbinding Hardback


Sider 427


Udgave


Længde 29mm


Bredde 239mm


Højde 162mm

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