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Sandy Landsberg DOE Office of Science Advanced Scientific Computing Research September 20, 2012 DOE / ASCR Interests & Complex Engineered Networks Applied Mathematics - Landsberg 1

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Secretary Steven Chu Deputy Secretary Daniel B. Poneman Under Secretary for Science Vacant Advanced Research Projects Agency – Energy Vacant Office of Science William Brinkman Patricia Dehmer Workforce Develop. for Teachers & Scientists Bill Valdez Fusion Energy Sciences Ed Synakowski Nuclear Physics Tim Hallman High Energy Physics James Siegrist Biological & Environmental Research Sharlene Weatherwax Advanced Scientific Computing Research Daniel Hitchcock Basic Energy Sciences Harriet Kung SBIR/STTR Manny Oliver Under Secretary Vacant Nuclear Energy Pete Lyons Fossil Energy Charles McConnell Energy Efficiency & Renewable Energy David Danielson Electricity Delivery & Energy Reliability Pat Hoffman Under Secretary for Nuclear Security/Administrator for National Nuclear Security Administration Thomas P. D’Agostino Defense Nuclear Security Naval Reactors Defense Nuclear Nonproliferation Defense ProgramsCounter-terrorism Emergency Operations 2

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ASCR at a Glance 3 ASCR Mission: Discover, develop, and deploy the computational and networking capabilities that enable researchers to analyze, model, simulate, and predict complex phenomena important to the Department of Energy.

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ASCR Research Programs Applied Mathematics- basic research in models, methods, and algorithms for understanding complex natural and engineered systems related to DOE’s mission Computer Science- basic research in utilization of computing at extreme scales; understanding extreme scale data from both simulations and experiments Next-Generation Networking for Science - focuses on end-to-end of high-performance, high- capacity and middleware network technologies necessary to provide secure access to distributed science facilities, high-performance computing recourses and large-scale scientific collaborations. This program builds on results from applied mathematics and computer science to develop integrated software tools and advanced network services. Computational Partnerships- –SciDAC Institutes- methods, algorithms, libraries & methodologies for achieving portability and interoperability of complex scientific software packages; software tools and support for application performance; tools for data analytics, and visualization spanning the full range of SciDAC applications –Scientific Application Partnerships (SAPs)- enable computational scientists to effectively and confidently utilize multi-petaflop computing systems to advance science. –Co-Design- close coupling of applications, computer science, and computer hardware architecture that are required for success at exascale.

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DOE Applied Mathematics 5 Applied Mathematics - Landsberg Support the research and development of applied mathematical models, methods and algorithms for understanding natural and engineered systems related to DOE’s mission. Long-term goals: Mathematics research that 5-10+ years out will impact DOE mission efforts: DOE Applications, SciDAC Partnerships, and Exascale Co-Design New Mathematical Multifaceted Integrated Capability Centers (MMICCs) directly enhances impact of applied math on DOE mission Cross-cutting mathematics projects: addresses foundational, algorithmic and extreme- scale mathematical challenges High-risk, high-payoff: new mechanism to bring in highly innovative research

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Background 2005 Multiscale Mathematics solicitation 15 projects awarded under Multiscale Mathematics and Optimization of Complex Systems (ending 8/2012) 7 projects awarded under Mathematics for Complex Distributed Interconnected Systems (ending 8/2012) 7 projects awarded under ARRA Multiscale Mathematics and Optimization of Complex Systems (ending 8/2012) Mathematical Multifaceted Integrated Capability Centers (MMICCs) Mathematical Multifaceted Integrated Capability Centers (MMICCs) 6 Applied Mathematics - Landsberg Workshop: Sept 13-15, 2011; Workshop report, “A Multifaceted Mathematical Approach for Complex Systems” March 2012. Applied Math Summit 3/7/2012. New Paradigm Holistically address mathematics for increasingly complex DOE-relevant systems for scientific discovery, design, optimization and risk assessment. Broader view of the problem as a whole, and devise solution strategies that attack the problem in “its entirety” by building fundamental, multidisciplinary mathematical capabilities Enable applied mathematics researchers to work together in large, collaborative teams to more effectively address science problems earlier in the problem solving process.

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Mathematical Multifaceted Integrated Capability Centers (MMICCs) Mathematical Multifaceted Integrated Capability Centers (MMICCs) 7 Proposals for a Mathematical Multifaceted Integrated Capability Center must: Address the long-term mathematical challenges for one or more DOE grand challenges and that require new integrated, iterative processes across multiple mathematical disciplines. Identify a set of interrelated mathematics research challenges that represent abstractions of the grand challenges. These abstractions would then be optimally addressed through a multifaceted, integrated approach. Advance multifaceted, integrated mathematics that spans, as appropriate, novel formulations, discretizations, algorithm development, data analysis techniques, uncertainty quantification methodologies, optimization techniques, and other mathematical approaches; Have impact to the DOE mission in the 5-10+ year timeframe

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DOE Applied Mathematics Summit (March 2012): http://science.energy.gov/ascr/news-and-resources/workshops-and-conferences/doe-applied-math- summit/ ASCAC Presentations (March 2012): “A New Paradigm for DOE Applied Mathematics” http://science.energy.gov/~/media/ascr/ascac/pdf/meetings/Mar12/LandsbergASCAC03272012.pdf http://science.energy.gov/~/media/ascr/ascac/pdf/meetings/Mar12/LandsbergASCAC03272012.pdf “Extreme-Scale Solvers Workshop” http://science.energy.gov/~/media/ascr/ascac/pdf/meetings/Mar12/xsolvers-ASCAC-brief_v3.pdf http://science.energy.gov/~/media/ascr/ascac/pdf/meetings/Mar12/xsolvers-ASCAC-brief_v3.pdf Applied Mathematics Workshops: “Mathematics for the Analysis, Simulation, and Optimization of Complex Systems” (9/13-9/14/2011): http://www.orau.gov/mathworkshop2011/ http://www.orau.gov/mathworkshop2011/ “Extreme-Scale Solvers” (3/8-3/9/2012): http://www.orau.gov/extremesolvers2012/http://www.orau.gov/extremesolvers2012/ Workshop Reports : “A Multifaceted Mathematical Approach for Complex Systems” http://science.energy.gov/~/media/ascr/pdf/program- documents/docs/Multifaceted_Mathematical_Approach_for_Complex_Systems.pdf http://science.energy.gov/~/media/ascr/pdf/program- documents/docs/Multifaceted_Mathematical_Approach_for_Complex_Systems.pdf “Report on the Workshop on Extreme-Scale Solvers: Transition to Future Architectures” http://science.energy.gov/~/media/ascr/pdf/program- documents/docs/reportExtremeScaleSolvers2012.pdf http://science.energy.gov/~/media/ascr/pdf/program- documents/docs/reportExtremeScaleSolvers2012.pdf DOE Applied Mathematics References 8 Applied Mathematics - Landsberg

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Sandy.Landsberg@science.doe.gov Questions? Applied Mathematics - Landsberg 9

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