Feature Channels: Supercomputing

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HPCwire magazine recognizes two Argonne teams for outstanding achievement in their use of high performance computing.

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Researchers at the University of Chicago have created the first usable computational model of the entire virus responsible for COVID-19—and they are making this model widely available to help advance research during the pandemic.

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While researchers have been studying chloride’s corrosive effects on various materials for decades, high-performance computers were recently used to create detailed simulations to provide new insight on how chloride leads to corrosion.

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Responding to COVID-19 has required a huge coordinated effort from the scientific community. The Department of Energy’s Office of Science has spearheaded several scientific efforts, including the National Virtual Biotechnology Laboratory.

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Kalyan R S Perumalla is a Distinguished Research and Development Staff Member at Oak Ridge National Laboratory, whose work on reversible computing for exascale computers also provides insights applicable to next generation programming.

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University of New Hampshire (UNH) researchers recently used high-performance supercomputers to identify new inhibitor binding/unbinding pathways in an RNA-based virus. The findings could be beneficial in understanding how these inhibitors react and potentially help develop a new generation of drugs to target viruses with high death rates, such as HIV-1, Zika, Ebola, and SARS-CoV2, the virus that causes COVID-19.

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A Georgia State University team has used the nation’s fastest supercomputer, Summit at the US Department of Energy’s Oak Ridge National Laboratory, to find the optimal transition path that one E. coli enzyme uses to switch between building and editing DNA to rapidly remove misincorporated pieces of DNA.

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Researchers recently created detailed simulations showing how stiff red blood cells flow through blood vessels, deforming and colliding along the way.

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Researchers from the University of Bristol and quantum start-up, Phasecraft, have advanced quantum computing research, bringing practical hybrid quantum-classical computing one step closer.

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The San Diego Supercomputer Center (SDSC) at UC San Diego announced that its new Expanse supercomputer formally entered service for researchers following a program review by the National Science Foundation (NSF), which awarded SDSC a grant in mid-2019 to build the innovative system.

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A team of researchers recently created a pharmacophore model and conducted data mining of the database of drugs approved by the U.S. Federal Drug Administration (FDA) to find potential inhibitors of papain-like protease of SARS-CoV2, one of the main viral proteins responsible for COVID-19.

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A team fielded for the first time by the San Diego Supercomputer Center (SDSC) at UC San Diego competed in this year’s Student Cluster Competition at the annual International Conference for High-Performance Computing, Networking, Storage, and Analysis (SC20) achieved fourth place overall among 19 teams during the 72-hour challenge.

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The research described in the winning paper is focused on using a high-performance, iterative reconstruction system for noninvasive imaging at synchrotron facilities.

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A research team, including scientists from UC San Diego, Argonne National Laboratory and Oak Ridge National Laboratory, wins the Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research, presented during the SC20 virtual conference.

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Using a combination of AI and supercomputing resources, Argonne researchers are examining the dynamics of the SARS-CoV-2 spike protein to determine how it fuses with the human host cell, advancing the search for drug treatments.

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The new projects will use DOE’s leadership-class supercomputers to pursue transformational advances in science and engineering.

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The Argonne Leadership Computing Facility’s internship program went virtual this year, providing students with an opportunity to work on real-world research projects that address issues at the forefront of scientific computing.

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A machine learning model developed by a team of Lawrence Livermore National Laboratory (LLNL) scientists to aid in COVID-19 drug discovery efforts is a finalist for the Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research.

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PNNL, Microsoft Quantum partner to link quantum circuits to powerful government supercomputers

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Los Alamos National Laboratory announced an industry-first computational storage deployment targeting a next-generation storage system for HPC sited at Los Alamos.