Computer-Based Modeling of Novel Carbon Systems and Their...
Colombo, Luciano / Fasolino, Annalisa
During the last twenty years, the multiplicity of potential carbon structures has consistently posed a formidable challenge to theoretical and computational physicists. Several different methods are currently being used to study the structure and the properties of such systems. These methods include simulations based on empirical potentials, tight-binding calculations and density functional theory (DFT). A combination of these methods is neede...