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Computational Materials Science: From Ab Initio to Monte Carlo Methods

Computational Materials Science: From Ab Initio to Monte Carlo Methods

Autorzy
Wydawnictwo Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Data wydania 01/02/2019
Wydanie Drugie
Liczba stron 427
Forma publikacji książka w miękkiej oprawie
Poziom zaawansowania Dla profesjonalistów, specjalistów i badaczy naukowych
ISBN 9783662585870
Kategorie Fizyka Matematyczna, Analizy widmowe, spektrochemia, spektrometria masowa, Chemia teoretyczna i kwantowa, Nanotechnologia, Urządzenia i materiały elektroniczne
410.68 PLN (z VAT)
$105.60 / £87.52 / €94.49 /
Produkt na zamówienie
Przesyłka w 3-4 tygodnie
Ilość
Do schowka

Opis książki

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.

Computational Materials Science: From Ab Initio to Monte Carlo Methods

Spis treści

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

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