Design of organic solids

Despite our advanced understanding of covalent bond formation in organic chemistry, the principles of organic solid design remain largely underdeveloped. Chemists can synthesize highly complex organic molecules, yet they struggle to predict crystalline or solid structures from molecular descriptors. Most organic matter exists not as isolated molecules but as aggregated forms, which influence the physical properties we observe. The electrical, optical, or magnetic properties of solid organic materials—crucial for future technologies—depend not only on molecular structure and intramolecular forces but also significantly on intermolecular forces and packing structures, an area lacking a general predictive approach. This gap in knowledge has been described as a "continuing scandal in the physical sciences." The challenge of accurately predicting organic solid and crystal structures is considerable, highlighting a critical need for advancements in this field.