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Speeding Up Chemistry Calculations

A new math “shortcut” 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

trebotichrotator

HPC Aids More Efficient Paper Manufacturing

Simulations run at Berkeley Lab as part of the HPC4Mfg project could help U.S. paper manufacturers significantly reduce production costs and increase energy efficiencies.

RooflineHP

Roofline Boosts Manycore Optimization

A software toolkit developed in Berkeley Lab's CRD to better understand supercomputer performance is now being used to boost application performance for researchers running codes at NERSC and other HPC facilities.

iPTF16

A New Era for Cosmology?

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. Berkeley researchers do have a method for finding more.

News

  • bk plus4

    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. Read More »

  • Screen Shot 2017 05 09 at 12.26.51 PM

    HPC4Mfg Paper Manufacturing Project Yields First Results

    May 15, 2017: Simulations run at NERSC as part of a unique collaboration comprising Berkeley Lab, Lawrence Livermore National Laboratory and an industry consortium could help U.S. paper manufacturers significantly reduce production costs and increase energy efficiencies. Read More »

  • NERSC manycore fig3

    Roofline Model Boosts Manycore Code Optimization Efforts

    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 at NERSC and other supercomputing facilities. Read More »