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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

Former Summer Student Wins Research Award

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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 in summer 2016.
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Lin Lin Awarded 2017 SIAG/CSE Early Career Prize

Lin Lin CRD HP

CRD's Lin Lin has ben honored with a 2017 SIAM Activity Group on Computational Science and Engineering Early Career Prize. The honor is bestowed to one outstanding early career researcher that has made distinguished contributions to the field within seven years of receiving a Ph.D. » Read More

Catching Extreme Waves with High-Resolution Modeling

storm lines 25 100 km

Using decades of global climate data generated at a spatial resolution of about 25 kilometers squared, Berkeley Lab researchers were able to capture the formation of tropical cyclones, also referred to as hurricanes and typhoons, and the extreme waves that they generate. » Read More

Predicting Metallic Defects with Machine Learning

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For the first time, Berkeley Lab researchers have built and trained machine learning algorithms to predict defect behavior in certain intermetallic compounds with high accuracy. This method will accelerate research of new advanced alloys and lightweight new materials for applications spanning automotive to aerospace and much more. » 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.

Water KNL

Berkeley Lab Researchers Make NWChem’s Planewave “Purr” on Intel’s Knight 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.


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Berkeley’s Lin Lin Awarded 2017 SIAG/CSE Early Career Prize

February 24, 2017

Berkeley Lab’s Lin Lin has ben honored with a 2017 SIAM Activity Group on Computational Science and Engineering Early Career Prize. The honor is bestowed to one outstanding early career researcher that has made distinguished contributions to the field within seven years of receiving a Ph.D.

storm lines 25 100 km

Researchers Catch Extreme Waves with High-Resolution Modeling

February 15, 2017

Using decades of global climate data generated at a spatial resolution of about 25 kilometers squared, Berkeley Lab researchers were able to capture the formation of tropical cyclones, also referred to as hurricanes and typhoons, and the extreme waves that they generate.