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Advanced tools reveal critical infrastructure connections and help mitigate disasters | US Department of Energy Science News

DOE/Argonne National Laboratory A cross-platform Argonne collaboration is optimizing a tool developed after Hurricane Maria to find essential connections between critical infrastructure that will help owners and operators plan for and mitigate a variety of potential hazards. Major disasters, whether natural or human-caused, most often have a devastating impact on local infrastructure that can result in the interruption of humanitarian efforts and deal an economic blow to communities large and small. No matter where you are in the world, these infrastructures are intimately linked, so that the failure of one can have a cascading effect on others. Unfortunately, the details of how they re interconnected isn t always fully mapped out, making it hard for communities to determine which to bring online first after a disaster. However, Argonne is developing resources to help make the connections between the electrical grid and other lifeline infrastructure natural gas, clean water, he

Four decades of advancing computing for discovery | US Department of Energy Science News

Four decades of advancing computing for discovery The Office of Science has been investing in applied math and computational science for 40 years, leading to world-class infrastructure and research DOE/US Department of Energy A frame from the animation ESnet: Visualizing the Universe at 100 Gbps, which featured a simulation that tracked the evolution of the universe from its homogenous dawn 13.7 billion years ago to today. (Image courtesy of ESnet) In 1980, home computers had been available for five years, Sir Tim Berners-Lee established the precursor to the World Wide Web, and hard disk drives held a mere five megabytes each. That year, the Department of Energy’s (DOE) Office of Energy Research – now the Office of Science – had a small but dynamic program in applied mathematics, advanced computing, and networking for scientific research. Forty years later, the program, now called Advanced Scientific Computing Research (ASCR), still supports advances in scientific progres

10 ways Argonne science is combatting COVID-19 | US Department of Energy Science News

DOE/Argonne National Laboratory Argonne scientists and research facilities have made a difference in the fight against COVID-19 in the year since the first gene sequence for the virus was published. Sunday, Jan. 10, will mark one year since the first gene sequence for the virus that causes COVID-19 was published, igniting the quest for vaccines and treatments. Ten days later, the first case of the virus was confirmed in the United States. The U.S. Department of Energy s (DOE) Argonne National Laboratory pivoted immediately to join the global fight against the pandemic, turning our powerful scientific facilities and world-leading researchers to the tasks of tracking, treating and helping stop the spread of the disease.

Argonne earns HPCwire awards for supercomputing excellence in energy and industry

 E-Mail IMAGE: The Argonne team of Sibendu Som, Muhsin Ameen and Saumil Patel won the Readers Choice Award for Best Use of HPC in Energy. view more  Credit: (Image by HPCwire.) HPCwire magazine recognizes two Argonne teams for outstanding achievement in their use of high performance computing. Two teams of scientists from the U.S. Department of Energy s (DOE) Argonne National Laboratory have won HPCwire Awards, recognizing their innovative use of high performance computing (HPC) to optimize engine design. The awards were presented by HPCwire magazine. The Readers Choice Award for Best Use of HPC in Energy went to a group of Argonne scientists who used the laboratory s Theta supercomputer to run the largest-ever combustion engine flow simulation. The Readers Choice Award for Best Use of HPC in Industry went to an interdisciplinary team of scientists from Argonne, Aramco Research Center-Detroit and Convergent Science, who used Argonne s supercomputers to resolve

Insights Through Atomic Simulation

Date Time Insights Through Atomic Simulation A recent special issue in The Journal of Chemical Physics highlights Pacific Northwest National Laboratory’s (PNNL) contributions to developing two prominent open-source software packages for computational chemistry used by scientists around the world. PNNL researchers have been instrumental in developing the software packages, called NWChem and CP2K. These programs offer complementary approaches to calculating electronic structure, which is fundamental to atomic behavior and chemical bonding. According to the abstract for this special issue, “the electronic structure community now has a wonderfully diverse arsenal of software packages available for performing calculations on molecules and materials.” NWChem and CP2K are included in that arsenal.

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