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Frontier supercomputer sets new standard in molecular simulation

When scientists pushed the world’s fastest supercomputer to its limits, they found those limits stretched beyond even their biggest expectations. In the latest milestone, a team of engineers and scientists used Frontier to simulate a system of nearly half a trillion atoms — the largest system ever modeled and more than 400 times the size of the closest competition.

Howard Wilson

Howard Wilson explores how to accelerate the delivery of fusion energy as Fusion Pilot Plant R&D lead at ORNL. Wilson envisions a fusion hub with ORNL at the center, bringing together the lab's unique expertise and capabilities with domestic and international partnerships to realize the potential of fusion energy.

The transportation and industrial sectors together account for more than 50% of the country’s carbon footprint. Defossilization could help reduce new emissions from these and other difficult-to-electrify segments of the U.S. economy.

Scientists at Oak Ridge National Laboratory and six other Department of Energy national laboratories have developed a United States-based perspective for achieving net-zero carbon emissions. 

Architects of the Adaptable IO System, seen here with Frontier's Orion file system: Scott Klasky, left, heads the ADIOS project and leads ORNL's Workflow Systems group, and Norbert Podhorszki, an ORNL computer scientist, oversees ADIOS's continuing development. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Integral to the functionality of ORNL's Frontier supercomputer is its ability to store the vast amounts of data it produces onto its file system, Orion. But even more important to the computational scientists running simulations on Frontier is their capability to quickly write and read to Orion along with effectively analyzing all that data. And that’s where ADIOS comes in.

An international team using neutrons set the first benchmark (one nanosecond) for a polymer-electrolyte and lithium-salt mixture. Findings could produce safer, more powerful lithium batteries. Credit: Phoenix Pleasant/ORNL

An international team using neutrons set the first benchmark (one nanosecond) for a polymer-electrolyte and lithium-salt mixture. Findings could produce safer, more powerful lithium batteries.

Shift Thermal co-founders Mitchell Ishamel, left, and Levon Atoyan stand in front of one of the company’s ice thermal energy storage modules, which will be submitted to independent measurement and validation testing in May. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Shift Thermal, a member of Innovation Crossroads’ first cohort of fellows, is commercializing advanced ice thermal energy storage for HVAC, shifting the cooling process to be more sustainable, cost-effective and resilient. Shift Thermal wants to enable a lower-cost, more-efficient thermal energy storage method to provide long-duration resilient cooling when the electric grid is down. 

ORNL’s Alexey Serov will serve as a deputy director of the R2R Consortium. Credit: Carlos Jones/ORNL, US Department of Energy

The Department of Energy’s Oak Ridge National Laboratory is providing national leadership in a new collaboration among five national laboratories to accelerate U.S. production of clean hydrogen fuel cells and electrolyzers.  

Chuck Greenfield, former assistant director of the DII-D National Fusion Program at General Atomics, has joined ORNL as ITER R&D Lead.

Chuck Greenfield, former assistant director of the DIII-D National Fusion Program at General Atomics, has joined ORNL as ITER R&D Lead. 
 

Chelsea Chen, polymer physicist at ORNL, stands in front of an eight-channel potentiostat and temperature chamber used for battery and electrochemical testing. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Chelsea Chen, a polymer physicist at ORNL, is studying ion transport in solid electrolytes that could help electric vehicle battery charges last longer.

NSBP Annual Conference attendees came to ORNL on Nov. 10, 2023. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

ORNL and the University of Tennessee, Knoxville, co-hosted the 2023 National Society of Black Physicists Annual Conference with the theme "Frontiers in Physics: From Quantum to Materials to the Cosmos.” As part of the three-day conference held near UT, attendees took a 30-mile trip to the ORNL campus for facility tours, science talks and workshops.