Computer-Based Modeling of Novel Carbon Systems and Their Properties

The multiplicity of possible carbon structures has posed in the last two decades a formidable challenge to theoretical and computational physicists, since not only a number of different methods (such as simulations based on empirical potentials, tight-binding calculations or DFT) are currently being used to study the structure and the properties of such systems, but also because it is evident that a combination of these methods is needed to make new progress in the carbon field.