FASTMath SciDAC Institute
Application Partnerships

Efforts in the first 15 years of the SciDAC program have conclusively demonstrated that significant advances in science can be realized through close and sustained interactions among domain scientists and applied mathematicians. The SciDAC-4 FASTMath team has a proven record of engaging application scientists to enable new scientific discovery through strong and sustained interactions and a demonstrated ability to tackle difficult algorithmic and implementation issues as computer architectures undergo fundamental shifts.

We have impacted domain science by providing application scientists new structured and unstructured adaptive mesh simulations, high-order discretizations, adaptive time integrators, robust linear, nonlinear and eigensolvers, numerical optimization methods, and uncertainty quantification tools. Our contributions in SciDAC-3 ranged from providing the foundations for next generation application codes to developing key functionalities that enabled faster time to solution, higher resolutions, or more robust capabilities.

Application advancements through prior work by the FASTMath and QUEST teams enabled next-generation codes, faster solutions, and more robust simulations. Examples of successful advancements are available.

The FASTMath SciDAC Institute is building on successes such as these and provides the mathematical algorithms, software tools, and human expertise to enable effective use of the high-end computing facilities by Department of Energy and other application scientists. The FASTMath team partners with DOE applications scientists from across the Office of Science, the NNSA, and the applied energy offices. For the SciDAC-4 partnership teams that we are involved with, we give a brief overview of our collaborations and progress in advancing scientific goals. More information can be obtained by contacting the indicated FASTMath team members.

Office of Fusion Energy Sciences

The Department of Energy’s Office of Fusion Energy Sciences (FES) supports research that expands the fundamental understanding of matter at very high temperatures and densities and builds the scientific foundation needed to develop a fusion energy source. This includes the study of plasma and its interactions with its surroundings across wide ranges of temperature and density, development of advanced diagnostics to make detailed measurements of its properties and dynamics, and creation of theoretical and computational models to resolve essential physics principles. SciDAC partnerships focus on the development and application of high-fidelity physics simulation codes that can advance the fundamental science of magnetically confined plasmas by fully exploiting leadership-class computing resources and contribute to the FES goal of developing the predictive capability needed for a sustainable fusion energy source.

Applications

Provide support for solvers and time integrators needed in the Tokamak Disruption Simulation Center.

This project will develop a high-fidelity boundary plasma simulation module for magnetic fusion plasma, integrating the global boundary region from the top of the pedestal inside the last closed flux surface to the material walls, including the magnetic separatrix and the scrape-off layer. 

This project will, for the first time, make it possible to explore the self-consistent interaction of RF power with the short mean free path scrape-off layer, including the effects of plasma sheaths, ponderomotive forces near an antenna, and turbulence and transport. 

This project will develop simulation tools to provide a better understanding of the behavior and consequences of plasma disruptions in tokamaks and will use those tools to investigate methods to better control them. 

This project will improve physics understanding of energetic particle (EP) confinement and EP interactions with burning thermal plasmas through large-scale simulations.

The PSI2 project is developing and integrating computational tools for simulating plasma-surface interactions in future magnetic fusion devices.

Office of Biological and Environmental Research

The U.S. Department of Energy’s Office of Biological and Environmental Research (BER) conducts research in the areas of climate and environmental sciences and biological systems science. Partnerships in climate and environmental sciences aim to advance the simulation and predictive capabilities of state-of-science climate modeling and provide improved models for better understanding the movement of subsurface contamination. Partnerships in biological systems seek to develop new methods for modeling complex biological systems, including molecular complexes, metabolic and signaling pathways, individual cells, and ultimately, interacting organisms and ecosystems.

Applications

Funded jointly by the Office of Science Biological and Environmental Research (BER) and Applied Scientic Computing Research (ASCR) programs, OSCM, in the context of DOE's flagship climate model E3SM, addresses two major science questions: a) what is the optimal design of a measurement network to minimize climate model prediction uncertainties, and b) how much do the uncertainties in land and atmosphere physics contribute to predictive uncertainty and which processes are most responsible?

Improve the U.S. Department of Energy (DOE) ice sheet models and Earth system model components in order to create a modeling system capable of simulating century-scale changes in ice-sheet mass and their impact on global and regional sea level.

On the DEMSI project, we will develop a new sea-ice dynamical core using the discrete element method, where collections of floes are explicitly modeled as discrete elements. This shift to a particle-based method from the current continuum model is necessary to represent the dynamics of sea ice at high resolution.

Identify convergence bottlenecks in the E3SM climate physics model and develop new approaches that recover convergence.