Computational Quantum Physics and Chemistry of Nanomaterials

Abstract

Nanomaterials become more and more important both in basic research and in applications. Some properties may be understood only at the level of the quantum-mechanical study of these materials. The purpose of this Special Issue is to advance our fundamental understanding of the structure and technologically important properties of nanomaterials with the help of computational quantum solid-state physics and chemistry. There is no doubt that quantum-mechanical approaches are indispensable in comprehensive studies of nanomaterials and will be more and more crucial in the future. Of course, this field is too extensive and too diverse to be described in a single volume. Nevertheless, this Special Issue should provide at least a partial snapshot of the state-of-the-art of computational quantum-mechanical studies of nanomaterials, cover some recent advances and problems, and discuss promising future directions in this field.