| Popis: |
A fundamental understanding of the chemistry of solids and their surfaces requires accurate models of structures and processes at the atomic level. Our knowledge of the physics and chemistry of solids is being advanced rapidly by the application of computer modelling techniques which are able, in general, to predict with growing accuracy and reliability the structural and dynamical properties of matter at the atomic level [1, 2, 3, 4]. This chapter will focus on the modelling of the structures of crystals, defects and surfaces, where we hope to show the detailed level of the information that can be generated by contemporary modelling methodologies. |
