Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, ...

This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods.

In this book you will find detail Installation procedure for Windows OS and Ubuntu Linux and initial use of Quantum ESPRESSO.

Smithells is the only single volume work which provides data on all key apsects of metallic materials. Smithells has been in continuous publication for over 50 years. This 8th Edition represents a major revision.

The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting the properties of materials with stunning accuracy.

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.

This book gives both experts and nonexperts a good overview of porous semiconductors. The book is aimed at researchers intending to pursue work relating to porous wide-band-gap semiconductors in the manufacturing/semiconductor industry.

This book is a textbook for graduate students and researchers who are interested in ferromagnetism. The emphasis is primarily on explanation of physical concepts rather than on a rigorous theoretical treatment.