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Computational Science


The mission of the Computational Science Department is to perform innovative research that enhances high performance computational science application codes used in scientific discovery across a broad range of scientific disciplines. Members of the Department collaborate broadly across Berkeley Lab, the DOE National Laboratory community, and with academic, government and industrial institutions internationally to enable breakthrough scientific discoveries that make essential use of high-performance computing capabilities.

Department Head: Peter Nugent


Computational Chemistry, Materials & Climate Group

The goal of the Computational Chemistry, Materials & Climate Group is to enable scientific discovery through the development of advanced software applications, tools, and libraries in key research areas, as well as the development of scientific computing applications and capabilities for the integration and analysis of complex data from simulation and experiment. Members of the group have expertise in domain science areas, applied mathematics, and computer science. Read More »


Computational Cosmology Center

C3 is a focused collaboration of astrophysicists and computational scientists whose goals are to develop the tools, techniques and technologies to meet the analysis challenges posed by present and future cosmological data sets. Read More »


Physics and X-Ray Science Computing Group

Physics and X-Ray Science Computing researchers are embedded in large experimental collaborations to provide cyberinfrastructure for scientific data analysis and exploration. Read More »


Applied Numerical Algorithms Group

The Applied Numerical Algorithms Group (ANAG) develops advanced numerical algorithms and software for partial differential equations integrated with the application of the software to problems of independent scientific and engineering interest. Read More »

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Computational Biosciences

The Computational Biology Group is a collaboration between Berkeley Lab's Computational Research Division and the Biosciences Area. Our goals are to develop tools and frameworks to meet the analysis challenges posed by present and future biological research that addresses our nation's energy and health needs. Read More »