New Simulation Method Predicts Crystal Structures Like Never Before

Materials science is one field where structure makes all the difference in the world. Take carbon, for example--it has two crystalline forms, one of which is soft enough that it can be crumbled with your fingers, while the other is the hardest substance found in nature. The component atoms are identical, but the arrangement of those atoms determines whether they make common graphite or a sparkling diamond. A liquid can transition to a number of different crystalline solids, depending onthe condi...