Computational Materials Science From Ab Initio to Monte Carlo Methods /

• Κύριοι συγγραφείς: Ohno, Kaoru (Συγγραφέας, http://id.loc.gov/vocabulary/relators/aut), Esfarjani, Keivan (http://id.loc.gov/vocabulary/relators/aut), Kawazoe, Yoshiyuki (http://id.loc.gov/vocabulary/relators/aut)
• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2018.
• Έκδοση: 2nd ed. 2018.
• Θέματα: Optical materials.; Electronic materials.; Physics.; Chemistry, Physical and theoretical.; Nanotechnology.; Solid state physics.; Optical and Electronic Materials.; Numerical and Computational Physics, Simulation.; Theoretical and Computational Chemistry.; Solid State Physics.

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 t...

Πίνακας περιεχομένων:

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