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Science

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Fungal Enzymes, Vanadium, Wearable Sensors, Floating Rocks, and More in the DOE Science News Source

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Biophysics, ATP, Photosynthesis, artificial photosynthesis, Supercomputing

Assembling Life’s Molecular Motor

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As part of a project dedicated to modeling how single-celled purple bacteria turn light into food, a team of computational scientists from the University of Illinois at Urbana-Champaign (UIUC) simulated a complete ATP synthase in all-atom detail. The work builds on the project’s first phase—a 100-million atom photosynthetic organelle called a chromatophore—and gives scientists an unprecedented glimpse into a biological machine whose energy efficiency far surpasses that of any artificial system.

Science

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HPC4Mfg , Supercomputing, paper industry

HPC4Mfg Paper Manufacturing Project Yields First Results

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Simulations run at Lawrence Berkeley National Laboratory as part of a unique collaboration with Lawrence Livermore National Laboratory and an industry consortium could help U.S. paper manufacturers significantly reduce production costs and increase energy efficiencies.

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artificial lungs , Pediatrics, Medical Technology, Medical Devices, Computer Simulation Research, Computer Simulation, Computational Biology, Medical Science, Pulmonary and Respiratory Medicine, pulmonary and critical care medicine, pulmonary biology, Pediatric Care Specialties, Supercomputing, Supercomputer Simulations, Supercomputing and high-performa

Engineering Researcher at MSU Helps Design Artificial Lung Device

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Children with chronic lung diseases often must wait months or even years for a transplant, while large, immobile hospital equipment that could help them breathe easier actually may worsen their condition by overtaxing already damaged lungs.

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San Diego Supercomputer Center, Uc San Diego, National Science Foundation (NSF) , xsede, Nvidia

SDSC to Double ‘Comet’ Supercomputer’s Graphic Processor Count

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The San Diego Supercomputer Center (SDSC) at UC San Diego has been granted a supplemental award from the National Science Foundation (NSF) to double the number of graphic processing units, or GPUs, on its petascale-level Comet supercomputer in direct response to growing demand for GPU computing across a wide range of research domains.

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Basic Energy Sciences, Basic Energy Research, Energy Frontier Research Center, Energy Frontier Research Centers, EFRC, UNC, Center for Solar Fuels, National Energy Research Scientific Computing Center, NERSC, Simulation, Simulations, Semiconductor, Electron, Electrons, Computer Modeling, computer modelling, Computer Models, Dye Sensitized Solar Cells, Solar

The Ultrafast Interplay Between Molecules and Materials

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Computer calculations by the Center for Solar Fuels, an Energy Frontier Research Center, shed light on nebulous interactions in semiconductors relevant to dye-sensitized solar cells.

Science

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SLAC National Accelerator Laboratory, Machine Learning, Chemical Reactions, Catalysis, Chemistry, Science, Scientific Computing

Machine Learning Dramatically Streamlines Search for More Efficient Chemical Reactions

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A catalytic reaction may follow thousands of possible paths, and it can take years to identify which one it actually takes so scientists can tweak it and make it more efficient. Now researchers at the Department of Energy’s SLAC National Accelerator Laboratory and Stanford University have taken a big step toward cutting through this thicket of possibilities.

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Materials Science, Supercomputer, Physical Sciences & Engineering, Argonne Leadership Computing Facility, Center for Nanoscale Materials (CNM), complex oxides, Nanoscience, materials simulation & theory, Mathematics, computing, & computer science, Modeling, simulation, & visualization, Synchrotron Radiation, X-ray scattering & detection

New Study Reveals the Mystery Behind the Formation of Hollowed Nanoparticles During Metal Oxidation

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In a newly published Science paper, Argonne and Temple University researchers reveal new knowledge about the behavior of metal nanoparticles when they undergo oxidation, by integrating X-ray imaging and computer modeling and simulation. This knowledge adds to our understanding of fundamental processes like oxidation and corrosion.

Science

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HPC, High Performance Computing, graphics processing unit, graphics cards

Changing the Game

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High performance computing researcher Shuaiwen Leon Song asked if hardware called 3D stacked memory could do something it was never designed to do—help render 3D graphics.







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