Methods and Applications of Crystal Structure PredictionFaraday Discussion 211\nAuthor(s): Royal Society of Chemistry\nFormat: Hardback\nPublisher: Royal Society of Chemistry, United Kingdom\nImprint: Royal Society of Chemistry\nISBN-13: 9781788011709, 978-1788011709\nSynopsis\nThe prediction of crystal structures from first principles has been one of the grand challenges for computational methods in chemistry and materials science. The goal of being able to reliably predict crystal structures at an atomistic level of detail, given only the chemical composition as input, presents several challenges. A solution to the crystal structure prediction challenge requires advances in several areas of computational chemistry. Theoretical chemists have naturally been drawn to these challenges from an academic perspective, while the development of methods for solving the problem of crystal structure prediction has also been motivated by a growing range of applications where reliable structure s