Eberhart M E, Clougherty D P
Department of Chemistry & Geochemistry, Colorado School of Mines, Golden, Colorado 80401, USA.
Nat Mater. 2004 Oct;3(10):659-61. doi: 10.1038/nmat1229.
Despite great advances in computation, materials design is still science fiction. The construction of structure-property relations on the quantum scale will turn computational empiricism into true design.