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.

This book gives students the tools to develop their own codes. Describing advanced algorithms, the book is ideal for students in computational physics, quantum mechanics, atomic and molecular physics, and condensed matter theory.

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.

This 8th Edition represents a major revision.Four new chapters have been added for this edition. these focus on; * Non conventional and emerging materials - metallic foams, amorphous metals (including bulk metallic glasses), structural ...

This book introduces dramatically new computational techniques in materials research, specifically for understanding molecular dynamics. This book introduces modern techniques based on computer simulation to study materials science.

Edited by leaders of the UK Hub, this book provides insight into one of the most important areas of modern chemistry — it represents a unique learning opportunity for students and professionals studying and working towards speeding-up, ...

Exploration of fundamentals of x-ray diffraction theory using Fourier transforms applies general results to various atomic structures, amorphous bodies, crystals, and imperfect crystals. 154 illustrations. 1963 edition.

Comprehensively reviewing previous research and recent developments, this book: Provides suggestions on how to choose a window function for particular applications Discusses Fourier analysis techniques and pitfalls in the computation of the ...