Thomas F George & Daniel A Jelski 
COMPUTATIONAL STUDIES OF NEW MATERIALS [PDF ebook] 

This important book is a collection of articles discussing computational studies of new materials. It is intended not only for workers in computational materials science, but also for people with a broader interest in the materials being discussed. The emphasis, therefore, is on the materials, and not primarily on the development of new computational tools. The specific topics covered are: surface-induced optical effects; adsorbates; crystals; semiconductors; clusters; fullerenes; fractals; and liquid helium.