http://www.pnl.gov/science/ Fundamental & Computational Sciences Directorate en-us http://blogs.law.harvard.edu/tech/rss kathryn.lang@pnl.gov christine.novak@pnl.gov http://www.pnl.gov/science/highlights/highlight.asp?id=693Scientific Computing ]]>Mon, 09 Nov 2009 00:00:00 GMThttp://www.pnl.gov/science/highlights/highlight.asp?id=677Wed, 30 Sep 2009 00:00:00 GMThttp://www.pnl.gov/science/highlights/highlight.asp?id=671Pacific Northwest National Laboratory. Our scientific leaders are recognized in the United States and abroad for their accomplishments. ]]>Wed, 23 Sep 2009 00:00:00 GMThttp://www.pnl.gov/science/highlights/highlight.asp?id=674Results: Whether it is water or hydrogen storage materials, to understand their properties, researchers want to know how electrons behave. Describing the clouds of electrons around each atom requires complex quantum calculations that require so-called basis sets. Finding the latest and greatest basis sets was complicated, but is now far easier, thanks to the Basis Set Exchange (BSE), a Web portal built by scientists from Pacific Northwest National Laboratory for the Environmental Molecular Sciences Laboratory. The Web portal, which gets accessed about 20,000 times a month, allows researchers to search, browse, and retrieve a wide array of available basis sets, and to share basis sets. ]]>Tue, 22 Sep 2009 00:00:00 GMThttp://www.pnl.gov/science/highlights/highlight.asp?id=675SciDAC Review. These tools are helping to provide scientific insight and understanding not available through experimentation alone. ]]>Mon, 21 Sep 2009 00:00:00 GMThttp://www.pnl.gov/science/highlights/highlight.asp?id=659Chinook supercomputer, built by HP, has now been commissioned for use by Pacific Northwest National Laboratory and the Department of Energy .  Chinook is featured in the Summer 2009 issue of SciDAC Review . ]]>Mon, 24 Aug 2009 00:00:00 GMThttp://www.pnl.gov/science/highlights/highlight.asp?id=654Results: When you are working with some of the world's fastest computers, you need software that can keep up. Enter the Global Array Toolkit. At Pacific Northwest National Laboratory, a team of experts just released a new version of the award-winning software that dramatically simplifies writing code for supercomputers. Version 4.2 of GA helps scientists to translate their ideas into highly efficient software that allows mathematical computations to run independently using subsets of processors of the supercomputer. ]]>Wed, 12 Aug 2009 00:00:00 GMThttp://www.pnl.gov/science/highlights/highlight.asp?id=647Results: Researchers at Pacific Northwest National Laboratory—in collaboration with NERSC, Argonne National Laboratory, and Cray—recently achieved an effective aggregate IO bandwidth of 5 Gigabytes/sec for writing output from a global atmospheric model to shared files on DOE's "Franklin," a 39,000-processor Cray XT4 supercomputer located at NERSC. The work is part of a Science Application Partnership funded under DOE's SciDAC program. ]]>Thu, 06 Aug 2009 00:00:00 GMThttp://www.pnl.gov/science/highlights/highlight.asp?id=651Results: Confusing. Crashing. Cursing. Three words you wish didn't apply to using software, but often do.  The first large-scale research project on how companies ensure the quality of their software indicates that, while many companies review their software, considerable room exists for improving review practices to increase their impact. Overall, the results of the survey clearly show that there is much work to be done in transferring the outcomes of software architecture review research into widespread practice. ]]>Tue, 04 Aug 2009 00:00:00 GMThttp://www.pnl.gov/science/highlights/highlight.asp?id=646Thu, 30 Jul 2009 00:00:00 GMT