Identification of synthesisable crystalline phases of water – a prototype for the challenges of computational materials design

We discuss the identification of experimentally realisable crystalline phases of water to outline and contextualise some of the diverse building blocks of a computational materials design process.

Cubic, hexagonal and tetragonal FeGex phases (x = 1, 1.5, 2): Raman spectroscopy and magnetic properties

There is currently an emerging drive to computational materials design and fabrication of the predicted novel materials. One of the keys for developing appropriate fabrication methods is determination of the...