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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. Read More »

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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. Read More »

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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. Read More »

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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. Read More »


Recognition Software Drives Matches across Multiple Science Domains

April 24, 2017

A team led by Daniela Ushizima of the Computational Research Division has built a Python-based tool for content-based image retrieval (CBIR) capable of searching relevant items from large datasets, given unseen samples. Named “pyCBIR,” the tool can be used to catalog and retrieve images from different science domains, such as biology, materials research and geology. Read More »

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CRD’s Scott Beamer Wins SPEC Kaivalya Dixit Distinguished Dissertation Award

April 24, 2017

Scott Beamer, a post-doc in the Computational Research Division’s Computer Architecture Group, is to receive the 2016 SPEC Kaivalya Dixit Distinguished Dissertation Award at the 8th ACM/SPEC International Conference on Performance Engineering being held April 22-27 in L’Aquila, Italy. Read More »


Rare Supernova Discovery Ushers in New Era for Cosmology

April 20, 2017

Using an automated supernova-hunting pipeline based at NERSC, astronomers have captured multiple images of a gravitationally lensed Type Ia supernova. This detection is currently the only one of its kind, but astronomers believe that if they can find more, they may be able to measure the rate of the universe’s expansion within four percent accuracy. Fortunately, two Berkeley Lab researchers have a method for identifying more of these events using existing wide-field surveys. Read More »

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Former Summer Student Jessica Hatcher Wins Research Award

March 21, 2017

Berkeley Lab Computing Sciences-sponsored summer student Jessica Hatcher won a first place award for her research poster “Quantitative Structure Activity Relationships (QSAR) for Biological Effects of Synthetic Cathinones” at the 74th Joint Annual Meeting of The National Institute of Science/ Beta Kappa Chi. Hatcher was mentored by CRD's Bert de Jong last summer. Read More »

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Berkeley Lab Researchers Make NWChem’s Planewave “Purr” on Intel’s Knights Landing Architectures

March 21, 2017

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 »

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A “VAST” Step Forward in Cyber Security

March 7, 2017

CRD network researcher Vern Paxson and postdoc Matthias Vallentin are developing VAST, a system that will help forensic security analysts pinpoint how much of an organization’s computer network has been compromised, and where. Read More »