Material properties emerge from phenomena on scales ranging from Angstroms to millimeters, and only a multiscale treatment can provide a complete understanding.

The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing an

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 th

It is about fifteen years since we started hearing about Computational Ma terials Science and Materials Modelling and Design. Fifteen years is a long time and a

The scope of this book is to identify and emphasize the successful link between computational materials modeling as a simulation and design tool and its synergi