This book is the first to combine computational material science and modeling of molecular solid states for pharmaceutical industry applications. •    Provides descriptive and applied state-of-the-art computational approaches and workflows  to guide pharmaceutical solid state chemistry experiments and to support/troubleshoot API solid state selection•    Includes real industrial case examples related to application of modeling methods in problem solving•    Useful as a supplementary reference/text for undergraduate, graduate and postgraduate students in computational chemistry, pharmaceutical and biotech sciences, and materials science