Abstract
Organic crystal structure prediction methods (CSP) aim to predict the crystal structure from the molecular diagram, for use in the design of new functional organic materials. CSP can help avoid the synthesis of molecules which will not give crystals with the desired physical property. However, CSP is mostly applied to determine the risk of polymorphism for molecules, such as pharmaceuticals, to aid the design of the crystallization processes used in their manufacture. CSP can complement experimental solid form screening in helping find and characterize the polymorphs of a given molecule.
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