Molecular materials with specific interactions : modeling and design Design of new molecular materials is emerging as a new interdisciplinary research field. Corresponding reports are scattered in literature and this book constitutes one of the first attempts to overview ongoing research efforts. It provides basic information as well as the details of theory and examples of its application to experimentalists and theoreticians interested in modeling molecular properties and putting into practice rational design of new materials. Containing chapters devoted to the progress in structure prediction techniques and techniques bridging microscopic and mesoscopic modeling scales this book illustrates various applications of molecular design of materials drugs biocatalysts and more