Natural and engineered systems have a whole world of chemistry inside their tiny pores—known as nanopores—that changes ...

To apply the technique to crystallography, the scientists began with a dataset of 40,000 crystal structures and jumbled the atomic positions until they were indistinguishable from random placement.

Among them, polyanions such as sodium vanadium phosphate (Na₃V₂(PO₄ ... Black phosphorus: With a unique two-dimensional layered structure and excellent physicochemical properties, it boasts a ...

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