Turn off the lab furnace and boot up the mainframe

Multiscale materials simulation: the maturing of a scientific concept

“…Multiscale materials simulation: the maturing of a scientific concept T urn off the lab furnace and boot up the mainframe -is the title of a viewpoint article by Grimvall [1] in the newly launched Physics journal of the American Physical Society. It highlights new developments in calculating calorimetric properties of solid materials up to the melting point using first principles calculations, as demonstrated by Grabowski, Ismar, Hickel and Neugebauer [2].…”