A Workshop to Develop a Near-Term Software Roadmap for X-ray, Neutron, and Electron Scattering Science

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DMR ? 1041426Fultz, Brent T. This award to Californaia Institute of Technology is from the Chemistry Division and the Division of Materials Research in The Mathematical and Physical Sciences and the Office of Cyberinfrastructure. The funds support entitled ?Workshop on Computational Scattering Science 2010? and will be held on July 6-9 at Argonne National Laboratory. The Workshop is to identify, and to reassess opportunities to connect the fields of scattering science and computational science. The goal is to develop a roadmap showing how modern computing can advance scattering science, to offer new opportunities for scientific discovery, and to identify opportunities. The workshop will also develop ideas to organize future software development, manage maintenance, upgrades, and user support at the Nation?s neutron and x-ray facilities. The outcome of the workshop will be a report that will critically assess strengths, weaknesses, and cost-effectiveness and present possible paths forward. The workshop will also identify the role of computational scattering science in education, and in promoting public awareness of scattering research in the U.S. Lowering the barrier for entry into scattering research will also be discussed. Finally, the workshop will help in the formation of a nucleus of a community for computational scattering science, and such a community is needed for optimizing the future effort in this field.