Researchers at the University of Reading and University College London have developed a novel artificial intelligence model that can anticipate how atoms arrange themselves in crystal structures, ...

A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine learning algorithm, ShotgunCSP, that enables fast and accurate prediction of ...

In functional materials, like organic semiconductors, controlling crystal structures is crucial for achieving desired electronic properties. However, crystal structure prediction (CSP) is an ...

SPaDe-CSP first predicts most probable space groups and crystal densities using machine learning and then employs an efficient neural network potential for structure refinement. Prediction of crystal ...

Researchers 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 ...