%0 Journal Article
%T Grand Challenges in Computational Materials Science: From Description to Prediction at all Scales
%A Thomas Heine
%J Frontiers in Materials
%D 2014
%I Frontiers Media
%R 10.3389/fmats.2014.00007
%K materials science
%K computational materials science
%K multiscale simulation model
%K density-functional theory
%K nanotechnology
%K graphene
%U http://www.frontiersin.org/Journal/10.3389/fmats.2014.00007/full