Computational Materials Science: An Introduction

Just purchased this book. So far I'm impressed for the following reasons:1. Its compact, only 280 pages or so.2. The book is targeted towards the user (Materials Scientist and Engineer) rather than the programmer or code development.3. The above makes it extremely ideal for someone who is trying to use computational methods to perform research and science.4. The book does a good job at describing the basics and then in the following chapter gives a handful of examples.As of right now I strongly suggest this text to anyone (or course) who would like to get started with Computational Materials Science. The title is accurate for the contents inside (opposed to other texts which say they are intros but are not). I commend Dr. June Gunn Lee on this work and hope it is followed up with an advanced version which tackles complex simulations and data analysis.I haven't finished reading the text so I will return to update this review.Update!!!Just started the first-principles chapters. Let me say Dr. June Gunn Lee hits the nail right on the head. His simple but effective delivery of this topic is superb.I'm sure many physicist would feel he does injustice to the topic but they're not engineers and usually get caught up in the formalism. I'm always hesitant to pick up a text which claims to be an introduction to 1st principles but are impossible to follow. I really like this textbook. I think its simple yet effective and doesn't scare away the undergraduate/1st year graduate MSE student. I really hope there is an advanced text in the works.One thing to note is the reader needs to be fairly comfortable in Linux and Windows environments. This is because the Software used (e.g. XMD,LAMMPS,VASP) requires the user to know how to compile and run. The author doesn't give instructions on these codes, just input scripts, so you need to consult the manuals. I found this to be a problem with the last LAMMPS example in chapter 3, it seems the configuration file is not complete and only the experienced user can create it. Also, all the DFT calculations in chapter 7 are done with VASP, which is not available without acquiring a license from the group that manages it and from what I understand its only available for research groups and faculty.Update!!!Unfortunately I'm unable to perform any of the examples in chapter 7, since I don't have access to VASP. Upon a release of a second edition this chapter should be focused around an GNU licensed code such as Quantum-eEpresso etc.

The book in simple and practical. Has a lot of examples and although it is not among the best in theoretical explanations, it is a very useful tool for people beginning in the field. I recommend the book.

This is my favourite introduction to computational materials science. It helped me greatly when I began a Masters research project in this field, and a few years later I have my own copy to lend to Masters students in the same situation.The author has a wonderful way with words, writing clearly and using memorable analogies. Clearly they have a passion for life and writing which goes beyond computational chemistry, and this makes the book easier to "binge" than many textbooks. This is helped by the fact that the content is not too deep; other resources will be needed to gain a proper grasp of some approximations and of implementation details. However, as a quick practical introduction I don't see many ways this should be improved.

Its a best book written and i have read. It seems author is talking to you while you are reading it.Everything is clearly stated and you can understand it well.One should enjoy reading this book.

È incredibile come in così poche pagine l'autore sia riuscito a illustrare così chiaramente tutti i principali metodi, compreso un minimo di trattazione teorica e applicazioni software

You can get the whole concept from Quantum mechanical calculation to MD simulations to study the properties of matter. Also contains input files for LAMMPS, XMD and VASP programs.

Best one .. go for it