Erhältlich:
Nicht auf Lager
Buch (Softcover): Fachbuch
Computational Materials Science
From Ab Initio to Monte Carlo Methods
Verlag:
Springer EN Unsere-Artikel-Nr.: P34992399
EAN: 9783662585870
Erhältlich:
Nicht auf Lager
Zustellung: Di, 13.10.2026
Versand: Kostenlos
-22.8 %
CHF 116.–
CHF 89.50
Beschreibung
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.