Computational Materials Sciences

DOE’s Computational Materials Sciences (CMS) program started in 2015 as part of the U.S. Materials Genome Initiative and supports the DOE Office of Science exascale computing priority. The CMS program takes advantage of the enormous recent growth in computing power and the increasing capability of high-performance computers to model and simulate the behavior of matter at atomic, molecular, and mesoscopic scales. The integrated, multi-disciplinary teams of the CMS program develop open-source, robust, validated, user-friendly software and publicly accessible experimental and computational databases capturing the essential physics of relevant materials systems. The ultimate goal is the widespread use of these software codes and databases by the broader research community and industry for predictive discovery and design of functional materials. This will position the U.S. to take full advantage of today’s peta- and exascale high-performance computers to further accelerate the discovery, design, development, and deployment of new materials for energy relevant technologies, including efficient, clean-energy manufacturing. More information about the companion Computational Chemical Sciences (CCS) program can be found here.

Awards List (here)



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