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![INCITE_narrow_logo](/sites/default/files/styles/list_page_thumbnail/public/2021-11/incite_narrow_1.png?h=a08abdbb&itok=2O5LBHgQ)
The U.S. Department of Energy’s Office of Science announced allocations of supercomputer access to 51 high-impact computational science projects for 2022 through its Innovative and Novel Computational Impact on Theory and Experiment, or INCITE, program.
![A material’s spins, depicted as red spheres, are probed by scattered neutrons. Applying an entanglement witness, such as the QFI calculation pictured, causes the neutrons to form a kind of quantum gauge. This gauge allows the researchers to distinguish between classical and quantum spin fluctuations. Credit: Nathan Armistead/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2021-11/Quantum%20Illustration%20V3_0.png?h=2e111cc1&itok=Bth5wkD4)
A team led by the U.S. Department of Energy’s Oak Ridge National Laboratory demonstrated the viability of a “quantum entanglement witness” capable of proving the presence of entanglement between magnetic particles, or spins, in a quantum material.
![Oak Ridge National Laboratory entrance sign](/themes/custom/ornl/images/default-thumbnail.jpg)
A team from ORNL, Stanford University and Purdue University developed and demonstrated a novel, fully functional quantum local area network, or QLAN, to enable real-time adjustments to information shared with geographically isolated systems at ORNL
![An ORNL-led team comprising researchers from multiple DOE national laboratories is using artificial intelligence and computational screening techniques – in combination with experimental validation – to identify and design five promising drug therapy approaches to target the SARS-CoV-2 virus. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2021-06/frame1.png?h=d1cb525d&itok=51pwBWyP)
An ORNL-led team comprising researchers from multiple DOE national laboratories is using artificial intelligence and computational screening techniques – in combination with experimental validation – to identify and design five promising drug therapy approaches to target the SARS-CoV-2 virus.
![INCITE logo](/sites/default/files/styles/list_page_thumbnail/public/2021-04/INCITE_2021.png?h=ae114f5c&itok=JWYnqxg5)
The U.S. Department of Energy’s Innovative and Novel Computational Impact on Theory and Experiment, or INCITE, program is seeking proposals for high-impact, computationally intensive research campaigns in a broad array of science, engineering and computer science domains.
![Spin chains in a quantum system undergo a collective twisting motion as the result of quasiparticles clustering together. Demonstrating this KPZ dynamics concept are pairs of neighboring spins, shown in red, pointing upward in contrast to their peers, in blue, which alternate directions. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2021-03/1_full%5B2%5D.png?h=d1cb525d&itok=l8KtOI25)
Using complementary computing calculations and neutron scattering techniques, researchers from the Department of Energy’s Oak Ridge and Lawrence Berkeley national laboratories and the University of California, Berkeley, discovered the existence of an elusive type of spin dynamics in a quantum mechanical system.
![Neutron scattering experiments show electric charges, shown in red, blue and grey, in the SARS-CoV-2 main protease site where telaprevir binds to the structure. The experiments provide critical data for the design of small-molecule drugs to treat COVID-19. Credit: Jill Hemman and Michelle Lehman/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2021-03/after_transprent_background-wFill.png?h=c71d0c67&itok=jGFt_Ggj)
Scientists have found new, unexpected behaviors when SARS-CoV-2 – the virus that causes COVID-19 – encounters drugs known as inhibitors, which bind to certain components of the virus and block its ability to reproduce.
![ORNL has modeled the spike protein that binds the novel coronavirus to a human cell for better understanding of the dynamics of COVID-19. Credit: Stephan Irle/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2021-02/toc_notext_0.png?h=3474dc74&itok=zSrqLz3F)
To better understand the spread of SARS-CoV-2, the virus that causes COVID-19, Oak Ridge National Laboratory researchers have harnessed the power of supercomputers to accurately model the spike protein that binds the novel coronavirus to a human cell receptor.
![Frontier supercomputer](/sites/default/files/styles/list_page_thumbnail/public/2023-01/frontier_0.jpg?h=a1e1a043&itok=J3IM_Xeh)
A multi-institutional team, led by a group of investigators at Oak Ridge National Laboratory, has been studying various SARS-CoV-2 protein targets, including the virus’s main protease. The feat has earned the team a finalist nomination for the Association of Computing Machinery, or ACM, Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research.
![ORNL assisted in investigating proteins called porins, one shown in red, which are found in the protective outer membrane of certain disease-causing bacteria and tether the membrane to the cell wall. Credit: Hyea (Sunny) Hwang/Georgia Tech and ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2020-11/Biology-gram-negative_0.jpg?h=ced0ee1c&itok=mTOudglI)
Scientists from Oak Ridge National Laboratory used high-performance computing to create protein models that helped reveal how the outer membrane is tethered to the cell membrane in certain bacteria.