A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine ...

As the clouds clear on computational crystal structure prediction, is the technique ready to empower mainstream materials research? James Mitchell Crow reports ...

The model was then trained to classify the synthesizability ... This breakthrough opens the door to analyzing why certain hypothetical crystal structures are difficult to synthesize and ...

Zinc sulphide exists with two different crystal structures, the cubic zinc blend (top diagram) and the hexagonal Wurtzite (lower diagram). In the zinc blend structure the sulphur ions form an fcc ...

Sodium Chloride is an alkali halide with an fcc crystal structure. The basis is two ions ... The diagram shows both a unit cell with ion locations indicated (a) and a space filling model (b) of ionic ...

Development of ShotgunCSP: a crystal structure prediction algorithm combining machine learning and first-principles calculations.Achieved world-leading performance in crystal structure prediction ...