Scientists use math to predict crystal structure in hours instead of months
materialsscienceandengineering:
Scientists use math to predict crystal structure in hours instead of months
Researchers at New York University have devised a mathematical approach to predict the structures of crystals – a critical step in developing many medicines and electronic devices – in a matter of hours using only a laptop, a process that previously took a supercomputer weeks or months. Their novel framework is published in the journal Nature Communications.
Organic molecular crystals are an important class of materials in many industries, from pharmaceuticals and agriculture to electronics and explosives. Crystals are the building blocks that make up many over-the-counter and prescription drugs, insecticides to fight mosquitoes, explosives such as TNT, semiconductors, and light-emitting technologies used in television screens and cell phones.