ABSTRACT
We are entering an era when condensed matter chemistry and physics can be predicted from theory with increasing realism and accuracy. This is particularly important in cases where experiments lead to ambiguous conclusions, for regimes in which there still exists no experimental probe and for predictions of the properties of modern materials in order to select the most promising ones for synthesis and experimental testing. For example, continuing miniaturization in microelectronics heightens the importance of understanding of quantum effects, which computational materials theory is poised to provide, based to some degree on the methods presented here.
