NETL researchers supporting computational science & engineering (CSE) are working to develop science-based simulation models, mathematical methods and algorithms, and software tools required to address technical barriers to the advancement of next-generation technologies. This research helps to generate information and understanding beyond the reach of experiments alone, saving time, money and materials.

The Lab accomplished many CSE successes in 2021. For example:

• NETL advanced its Science-Based Artificial Intelligence and Machine Learning Institute (SAMI). The Lab named Kelly Rose, Ph.D., to serve as interim SAMI technical director to lead NETL’s efforts for advancing cutting-edge artificial intelligence (AI) and machine learning (ML) computational technologies to help deliver on the Lab’s mission to drive innovations and deliver solutions for an environmentally sustainable and prosperous energy future.
• NETL researchers worked with data science leadership and experts from U.S. Department of Energy’s (DOE) Office of the Chief Information Officer to develop powerful new cloud computing capabilities that are harnessing the power of big data to advance energy research and data computing across the Department.
• NETL’s Energy Data eXchange (EDX) continued to serve as a virtual platform for the public curation of research data and tools, bringing together researchers from across DOE’s Office of Fossil Energy and Carbon Management (FECM). And, as the nation transitions to a clean energy economy, the data and models available through EDX helped to shape this new future where federal leadership partners with power plant communities to create good-paying union jobs, spur economic revitalization, mediate environmental degradation and support energy workers.
• DOE selected two projects under a funding opportunity announcement supporting NETL’s Historically Black Colleges and Universities and Other Minority Institutions program that have potential to bolster NETL’s world-renowned Multiphase Flow with Interphase eXchanges (MFiX) software suite through the development AI and ML techniques for computational fluid dynamics code.
• According to the June 2021 Top500 rankings, NETL’s Joule 2.0 supercomputer remains among the most powerful in the nation, securing a position of 37th in the United States. By expediting technology development through computational science and engineering, Joule 2.0 helped NETL in 2021 to cut costs, save time and spur valuable economic investments with a global impact.
• The Lab announced four phase one winners had received a total of $600,000 to support FECM’s SMART (Science-informed Machine Learning to Accelerate Real Time Decisions in the Subsurface) Initiative. NETL designed and implemented the contest in support of FECM, and the winners created prototype platforms and/or mockups that demonstrated a user-friendly visualization platform. The platform concept is intended to transform how scientists, engineers, regulators and the public interact with subsurface data.
• NETL updated its MFiX software suite, culminating in the most recent version, MFiX 21.3. MFiX is open source and has more than 6,000 users across the globe. The updates in 2021 provided enhanced capabilities for large industrial problems.

These accomplishments are a sampling of the work the lab is doing through its Computational Science and Engineering competency to help solve the nation’s toughest energy challenges, such as achieving net-zero carbon emissions in the electric sector by 2035 and the broader economy by 2050.

NETL is a U.S. Department of Energy national laboratory that drives innovation and delivers technological solutions for an environmentally sustainable and prosperous energy future. By leveraging its world-class talent and research facilities, NETL is ensuring affordable, abundant and reliable energy that drives a robust economy and national security, while developing technologies to manage carbon across the full life cycle, enabling environmental sustainability for all Americans.