A setback in growing light-responsive crystals led UB chemist Jason Benedict and his team to a novel method for mapping molecular arrangements.
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 ...
The Cambridge Crystallographic Data Centre (CCDC) has recently closed the 7th Crystal Structure Prediction (CSP) Blind Test. CSP is the ability to predict, from its 2D molecular structure, the 3D ...
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 ...
Crystals -- from sugar and table salt to snowflakes and diamonds -- don't always grow in a straightforward way. Researchers have now captured this journey from amorphous blob to orderly structures. In ...