1. Introduction.pdf2. The Essentials of Density Functional Theory and the Full-Potential Local-Orbital Approach.pdf4. A Solid-State Theoretical Approach to the Optical Properties of Photonic Crystals.pdf5. Simulation of Active and Nonlinear Photonic Nano-Materials in the Finite-Difference Time-Domain (FDTD) Framework.pdf6. Symmetry Properties of Electronic and Photonic Band Structures.pdf8. Magnetism, Structure and Interactions at the Atomic Scale.pdf9. Molecular Dynamics Simulations in Biology, Chemistry and Physics.pdf11. Integration of Modelling at Various Length and Time Scales .pdf13. Parallel Implementation Strategiesfor Algorithms from Scientific Computing .pdf