I agree completely with the idea that computation will save a lot of time and will make the life of experimental people easier and more efficient. However, I do not believe in computation without experiments. A lot of science out there is done on systems which are purely hypothetical and to me it does not make much sense since these materials might on paper have the best properties, if we can anyway not make them I do not see much sense in using computational time for materials that are not feasible just yet.