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

In nature and technology, crystallization plays a pivotal role, from forming snowflakes and pharmaceuticals to creating ...

Again, it’s partly to do with the crystal structure, and partly to do with the electronic structure of the elements in the alloy. Iron normally has a unit cell that’s either body-centered ...

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

“What the AI will do is take the solved crystal structures, the chemical composition of the crystals, and the properties of the crystals, to tell you which chemical elements to combine in given ...

Pyrovanadates are deemed as an ideal class of potential Calcium ion storage hosts, owing to abundant confined species. However, the higher Coulombic hinderance brings about more sluggish diffusion ...

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