Item description for Topics in Computational Materials Science by C. Y. Fong...
Concerns 5 major topics crucial to the development of future computational materials science & for providing better microscopic understanding of materials used to make innovative electronic devices. DLC: Photonics - Materials Mathematical models.
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Studio: World Scientific Publishing Company
Est. Packaging Dimensions: Length: 8.6" Width: 6" Height: 1.2" Weight: 1.45 lbs.
Publisher World Scientific Publishing Company
ISBN 9810231490 ISBN13 9789810231491
Reviews - What do customers think about Topics in Computational Materials Science?
Readable and understandable Jun 25, 2005
This is one of the better books to read to learn about atomistic simulations of materials. The book is divided into chapters, and each chapter is authored by a different set of authors. The different chapters cover topics such as tight-binding, plane wave pseudopotential calculations, algorithm and software development, modeling of alloys, photonic band structure, and modeling of growth mechanisms (specifically semiconductors).
Given the topics of the various chapters, there is a heavy emphasis on quantum mechanics (QM) and the different varieties in which QM calculations are carried out: DFT, Green's functions, tight-binding, Car-Parrinello, the variational principle, etc... The principle drawback of this book is that all of the chapters relating to QM calculations spend time going over the fundamentals of their calculations. Due to limited space, these reviews are always short, superficial and brief. This approach leads to much wasted space.
A better organizational style would be to have an intro chapter on QM emmphasizing the variational principle, mean-field and Born-Oppenheimer approximation, and how these are used in Hartree and Hartree-Fock theory. Follow this up with dedicated chapters on DFT, tight-binding, and advanced methods such as Green's functions. Then the remaining chapters could focus on specific applications such as photonic band structure, algorithms, and alloys. In this way, there would be less repetition of material.
One plus of this book is that the mathematical level is easy enough to understand for someone with background in linear algebra and differential equations. The equations and the text also complement each other very well, and this book's explanation of tight-binding is one of the easiest to understand out there.
Another plus is the dedicated chapter on software and algorithm development, and how computational cost scales with various simulation parameters. Unfortunately, this chapter pertains to plane wave pseudopotential calculations principally. This chapter would have been more applicable if written in terms of how scaling and software relate to generic processes found in most types of simulations: Ewald summation, matrix diagonalization, implementation of the conjugate gradient method, sampling techniques, self-consistency, etc...
Overall, I would recommend the reading of this book, though not the purchase.