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About the Applied Mathematics & Computational Research Division

Meet some of our scientists and learn more about Computational Research at Berkeley Lab in this short video.

Our Mission

ball and stick rendering of a rectangle of porous material

Porous materials, such as zeolites and metal-organic frameworks (MOFs), are growing more important as materials for energy-related applications, including carbon capture and gas storage. Computational researchers at Berkeley Lab have developed tools that analyze porous materials and predict if a molecule can traverse a material's voids. These tools map accessible parts of voids and calculate accessible volumes and surfaces. (Credits: Scientific research by Maciej Haranczyk and James Sethian, Berkeley Lab. Visualization by Richard Martin and Prabhat, Berkeley Lab.)

The Applied Mathematics & Computational Research Division conducts research and development in mathematical modeling, simulation and analysis, algorithm design, computer system architecture, and high-performance software implementation.

We collaborate directly with scientists across Berkeley Lab, the Department of Energy, and industry to solve some of the world’s most challenging computational problems in a broad range of scientific and engineering fields, including materials science, biology, climate modeling, astrophysics, fusion science, and many others.

We also perform research in high-performance computing (HPC) technology for extreme-scale computing systems, including research into performance optimization, performance analysis, benchmarking, and performance engineering of scientific applications, compilers, operating systems, and runtime systems. Our products range from peer-reviewed scientific publications to scientific research codes to end-to-end computational and data analysis capabilities that enable scientists and engineers to address complex and large-scale technical challenges.