Dec. 20, 2017
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INCITE awards LLNL researchers with computing time at Argonne, Oak Ridge

Jeremy Thomas, thomas244 [at], 925-422-5539

Lawrence Livermore National Laboratory (LLNL) scientists and researchers were among those awarded dedicated time on supercomputers at Argonne and Oak Ridge national laboratories under a Department of Energy program aimed at supporting computationally intensive, large-scale research projects.

  • LLNL physicist Vasily Bulatov is heading a project that will use large-scale molecular dynamics simulations to settle a long-standing controversy in classical physical metallurgy: the microscopic origin of strain hardening in metals. The work builds off a recent paper that made the cover of Nature in September, simulating the plasticity of metals at the atomic level. Other LLNL researchers include Luis Zepeda-Ruiz and Tomas Oppelstrup. The team will have access to 110 million core processor hours on the Mira machine at Argonne National Laboratory.
  • A team co-led by LLNL climate scientist David Bader was awarded nearly 180 million processor hours on machines at Argonne and Oak Ridge to develop a climate and Earth model focusing on simulating the impact of changes in the water cycle and the instability of the Antarctic ice sheet. The team includes scientists from Sandia, Argonne, Pacific Northwest, Lawrence Berkeley, Los Alamos and Oak Ridge national laboratories, as well at the University of California-Irvine.
  • Erik Draeger, High Performance Computing Group leader in LLNL’s Center for Applied Scientific Computing, and team will get more than 155 million processor hours on two machines at Argonne to model the interactions of fast-ions with various materials. The research has potential applications in focused-ion beam microscopes, proton-beam cancer therapies, manufacturing quantum bits and other advanced electronics. The project is led out of the University of North Carolina at Chapel Hill.
  • A team including LLNL scientist Nicolas Schunck will receive 180 million computing hours on systems at Oak Ridge and Argonne for modeling nuclear structure and nuclear reactions. The project’s objective is to accurately describe the atomic nucleus using advanced applied mathematics, computer science and physics. The work could impact terrestrial and astrophysical experiments and will enable predictions for basic science and have applications in nuclear energy, nuclear security and nuclear astrophysics.
  • DOE also renewed an ongoing INCITE project including LLNL computer scientists Todd Gamblin and Bronis de Supinski (chief technology officer for Livermore Computing), allocating 89 million computing hours at Argonne and Oak Ridge to research programming models, runtime systems, tools, system evaluations and application analysis in support of computational science. The work will ultimately allow scientists to maximize the speed of leadership computing platforms. The Performance Evaluation and Analysis Consortium (PEAC) includes the Lawrence Berkeley, Oak Ridge and Pacific Northwest national laboratories, the San Diego Supercomputer Center and numerous academic partners.
  • LLNL physicist Miguel Morales-Silva and his team also will be receiving a renewal of 140 million processor hours at Argonne and Oak Ridge for researching predictive simulations of functional materials. The researchers are demonstrating and validating new quantum Monte Carlo methods and algorithms using the open source QMCPACK code. The team is performing calculations on established benchmark materials, as well as new materials systems to advance efforts to identify new functionalities for energy-related technologies.

A total of 55 projects received INCITE awards of time for calendar year 2018, funded through DOE’s Office of Science. Visit the web for a full list of 2018 INCITE awardees.

For further information, visit the web.