Revolutionary Math Model Accelerates Crystal Structure Prediction

Researchers at New York University have developed a mathematical approach called "Crystal Math" to predict crystal structures in hours using a laptop, a process that previously required supercomputers and took weeks or months. This method, which relies on mathematical rules and simple physical descriptors, addresses the limitations of physics-based methods and has shown high accuracy in predicting structures of complex molecular crystals. The approach holds promise for the pharmaceutical industry and the development of new compounds.