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Computational Materials Science

- From Ab Initio to Monte Carlo Methods
Af: Yoshiyuki Kawazoe, Keivan Esfarjani, Kaoru Ohno Engelsk Hardback

Computational Materials Science

- From Ab Initio to Monte Carlo Methods
Af: Yoshiyuki Kawazoe, Keivan Esfarjani, Kaoru Ohno Engelsk Hardback
Tjek vores konkurrenters priser

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.

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Se mere i:
Produktdetaljer
Sprog: Engelsk
Sider: 427
ISBN-13: 9783662565407
Indbinding: Hardback
Udgave:
ISBN-10: 3662565404
Kategori: Kondenserede fasers fysik: væskeform og faststoffysik
Udg. Dato: 23 apr 2018
Længde: 29mm
Bredde: 162mm
Højde: 239mm
Forlag: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Oplagsdato: 23 apr 2018
Forfatter(e): Yoshiyuki Kawazoe, Keivan Esfarjani, Kaoru Ohno
Forfatter(e) Yoshiyuki Kawazoe, Keivan Esfarjani, Kaoru Ohno

Kategori Kondenserede fasers fysik: væskeform og faststoffysik

ISBN-13 9783662565407

Sprog Engelsk

Indbinding Hardback

Sider 427

Udgave

Længde 29mm

Bredde 162mm

Højde 239mm

Udg. Dato 23 apr 2018

Oplagsdato 23 apr 2018

Forlag Springer-Verlag Berlin and Heidelberg GmbH & Co. KG

Kategori sammenhænge