High-Performance Computing Advanced More Than 425 Energy Research Projects in 2024

July 1, 2025 | Contact media relations

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In 2024, NREL completed the full buildout of Kestrel, the U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy’s newest high-performance computing (HPC) system.

This new supercomputer now boasts roughly 56 petaflops of computing power to accelerate progress in energy research, including through the use of artificial intelligence (AI) and machine learning to open new avenues in energy research, materials science, forecasting, and other areas.

NREL's Advanced Computing Annual Report for FY 2024 showcases the significant contributions of advanced computing. Kestrel powered more than 425 energy innovation projects across 13 funding areas to support American innovation in the energy landscape.

One highlight in the report describes how Questaal—a suite of electronic structure software designed to answer basic questions about chemical and solid-state systems at the atomic level—solves quantum physics equations and simplifies computationally intensive processes while retaining high fidelity. Questaal’s high fidelity enables it to resolve many properties where prior theories have been inadequate, showcasing the ability to answer key science questions in a wide range of studies of chemical and materials systems. Read more in the highlight: Questaal Software Resolves Complex Physics, Helping Researchers Solve Complex Problems.

Another key project highlighted in the annual report focuses on developing cost-effective methods for breaking down plant cell walls to gain a deeper understanding of biomass at a molecular level.

Funded by the Bioenergy Technologies Office, researchers used a multidisciplinary approach to study how polymers are structured in Populus wood. They then used Kestrel to create molecular models of the lignocellulosic biopolymer assemblies. The models helped researchers identify which biopolymer interactions are responsible for the chemo-mechanical resilience of biomass. Read more in the report highlight: First Macromolecular Model of Woody Plant Cell Walls Will Improve Biomass Conversion.

Learn more about these projects and others in the Advanced Computing Annual Report highlights , or download the full report to learn how advanced computing contributed to important DOE research.

Learn more about advanced computing capabilities at NREL.