Role of inorganic and theoretical chemistry in ceramics: past, present, and future

Abstract

Theoretical inorganic chemistry has evolved since Professor Mellor's time to include a new generation of quantum mechanics based calculational methods to understand and predict chemical reaction pathways. Semi-empirical molecular orbital (MO) calculations have been used in the fields of glass and silica structure analysis, fracture mechanics, sol–gel processing of net shape optics, porous matrixes for hybrid optics, sensors, and tissue engineering scaffolds. Applications of MO calculations in biomaterials interface reactions, biomimetics, and biomineralisation have also been made. Future directions for use of theoretical inorganic chemistry in the ceramic industry are forecast.