SciDAC: Scientific Computation Application Partnerships in Materials and Chemical Sciences

The BES SciDAC Partnership portfolio will focus on the development of new algorithms and computational approaches which could dramatically accelerate the discovery of new materials and processes as well as provide fundamental understanding and improvement of current materials and processes. These elements are critical to the recently announced Materials Genome Initiative (www.whitehouse.gov/sites/default/files/microsites/ostp/materials_genome_initiative-final.pdf ). Implementing these new algorithms on current and next generation massively parallel computers requires a team approach which includes materials and chemical scientists, applied mathematicians and computer scientists.