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Subsurface Biogeochemical Research Program

Simulation of Pore-Scale Fluid Flow

Simulation of Pore-Scale Fluid Flow

[Institute for Ultra-Scale Visualization, University of California at Davis]

Modeling and High-Performance Computing

Modeling and High-Performance Computing supports conceptual and high performance computational models of hydrobiogeochemical processes from the molecular-scale to the watershed/basin scale, and from nanoseconds to days, months and year. Using an iterative approach to model-driven experimentation and observation, interdisciplinary teams of scientists work to unravel the coupled physical, chemical and biological processes that control the structure and function of terrestrial environments across vast spatial and temporal scales. State-of-science understanding, captured in conceptual theories and models, is translated into a hierarchy of computational components and used to predict the system dynamics and evolution in response to natural and anthropogenic forcing. Basic understanding of the system structure and function is advanced through an iterative cycle of experimentation and observation by targeting key system components and processes that appear to most limit the predictive skill of the models.

In partnership with the DOE Office of Advanced Scientific Computing Research (ASCR), the IDEAS project seeks to improve scientific productivity by qualitatively changing scientific software developer productivity. The IDEAS project team, which includes members from ANL, LANL, LBNL, LLNL, ORNL, PNNL, SNL, and the Colorado School of Mines has been developing an extreme-scale scientific software development ecosystem composed of high-quality, reusable CSE software components and libraries, a collections of best practices, processes and tools, and outreach to promote and disseminate productivity improvements. The SBR program has established three use cases to motivate the project:  1) hydrology and biogeochemical cycling in the Colorado River system (led by Carl Steefel at LBNL, 2) hydrologic, land surface, and atmospheric process coupling over the Continental United States (led by Reed Maxwell at the Colorado School of Mines), and 3) hydrology and soil carbon dynamics of Arctic tundra (led by Scott Painter at ORNL). Two of these use cases tie the IDEAS project to modeling and simulation goals in two SBR SFA programs (at LBNL and SLAC).


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BER Molecular Science Challenges Workshop Report [4/15]

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Subsurface Biogeochemical-Related BER Research Highlights