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A Math "Shortcut" Opens Opportunities for Chemistry

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A new math “shortcut” developed by CRD's Chao Yang is speeding up molecular absorption calculations by a factor of five, so simulations that used to take 10 to 15 hours to compute can now be done in approximately 2.5 hours. The algorithm will be incorporated in an upcoming release of the widely used NWChem computational chemistry suite. » Read More

HPC4Mfg Paper Manufacturing Project Yields Results

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An HPC for Manufacturing project co-led by CRD's David Trebotich could help U.S. paper manufacturers significantly reduce production costs and increase energy efficiencies.The papermaking industry currently ranks third among the country’s largest energy users, behind only petroleum refining and chemical production. » Read More

Roofline Boosts Code Optimization on Manycore Systems

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A software toolkit developed in Berkeley Lab's Computational Research Division to better understand supercomputer performance is now being used to boost application performance for researchers running codes at NERSC and other supercomputing facilities. » Read More

Rare Supernova Ushers in New Era for Cosmology

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Discovered! The first ever multiply-imaged gravitationally-lensed Type Ia supernova. With more of these events, researchers could measure the universe's expansion rate within four percent accuracy. CRD researchers do have a method for finding more. » Read More

NWChem’s Planewave Now “Purring” on KNL Nodes

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Berkeley Lab researchers have successfully added thread-level parallelism on top of MPI-level parallelism in the planewave density functional theory method within the popular software suite NWChem. An important step to ensuring that computational chemists are prepared to compute efficiently on next-generation exascale machines. » Read More

News

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A Fresh Math Perspective Opens New Possibilities for Computational Chemistry

May 19, 2017

A new mathematical “shortcut” developed by Berkeley Lab researchers is speeding up molecular absorption calculations by a factor of five, so simulations that used to take 10 to 15 hours to compute can now be done in approximately 2.5 hours. These algorithms will be incorporated in an upcoming release of the widely used NWChem computational chemistry software suite later this year.

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HPC4Mfg Paper Manufacturing Project Yields First Results

May 15, 2017

An HPC for Manufacturing project co-led by CRD's David Trebotich could help U.S. paper manufacturers significantly reduce production costs and increase energy efficiencies.The papermaking industry currently ranks third among the country’s largest energy users, behind only petroleum refining and chemical production.


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Roofline Model Boosts Code Optimization on Manycore Systems

May 1, 2017

A software toolkit developed in Berkeley Lab's Computational Research Division to better understand supercomputer performance is now being used to boost application performance for researchers running codes on manycore supercomputers at NERSC and other supercomputing facilities.

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C3 Graduate Student Researcher Wins 2017 Berkeley Trumpler Award

May 1, 2017

Danny Goldstein, a Berkeley Lab Graduate Student Researcher in CRD’s Computational Cosmology Center, has been awarded the Berkeley Trumpler Award for his academic excellence, as well as his outstanding record of involvement in the UC Berkeley Astronomy Department and wider astronomical community.