Edition 
Second edition 
Descript 
1 online resource (xii, 427 pages) : illustrations, digital ; 24 cm 

text txt rdacontent 

computer c rdamedia 

online resource cr rdacarrier 

text file PDF rda 
Note 
AbInitio Methods  TightBinding Methods  Empirical Methods and CoarseGraining  Monte Carlo Methods  Quantum Monte Carlo (QMC) Methods 

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 manybody Schroedinger equation with Coulomb forces. For the exchangecorrelation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tightbinding 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 tightbinding and molecular dynamics 
Host Item 
Springer eBooks

Subject 
Materials  Computer simulation


Materials  Mathematical models


Materials Science


Optical and Electronic Materials


Numerical and Computational Physics, Simulation


Theoretical and Computational Chemistry


Nanotechnology


Solid State Physics

Alt Author 
Esfarjani, Keivan, author


Kawazoe, Yoshiyuki, author


SpringerLink (Online service)

