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Frontier supercomputer sets new standard in molecular simulation

Breaking benchmarks: 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.

From left, J.D. Rice, Trevor Michelson and Chris Seck look at a monitor in Seck’s lab. The three are wearing safety glasses to protect against the laser beams used by the scanning vibrometer, which is helping Seck quantify vibration of an appliance in his lab. Carlos Jones/ORNL, U.S. Dept. of Energy

From massive structures to nanometers: ORNL’s scanning vibrometer used in quantum research

ORNL scientists are working on a project to engineer and develop a cryogenic ion trap apparatus to simulate quantum spin liquids, a key research area in materials science and neutron scattering studies.

Howard Wilson

Howard Wilson: Piloting the future of fusion at ORNL

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.

ORNL researcher Felicia Gilliland loads experiment samples into position for the newly installed UR5E robotic arm at the BIO-SANS instrument. The industrial-grade robot changes samples automatically, reducing the need for human assistance and improving sample throughput. Credit: Jeremy Rumsey/ORNL, U.S. Dept. of Energy

Retrofitting robotics increases efficiency of neutron experiments

The BIO-SANS instrument, located at Oak Ridge National Laboratory’s High Flux Isotope Reactor, is the latest neutron scattering instrument to be retrofitted with state-of-the-art robotics and custom software. The sophisticated upgrade quadruples the number of samples the instrument can measure automatically and significantly reduces the need for human assistance.

The Linac Coherent Light Source at DOE’s SLAC National Accelerator Laboratory in California reveals the structural dynamics of atoms and molecules through X-ray snapshots at ultrafast timescales. Pictured here is the LCLS-II tunnel. Credit: Jim Gensheimer/SLAC National Accelerator Laboratory

ORNL, SLAC team up for breakthrough biology projects

Plans to unite the capabilities of two cutting-edge technological facilities funded by the Department of Energy’s Office of Science promise to usher in a new era of dynamic structural biology. Through DOE’s Integrated Research Infrastructure, or IRI, initiative, the facilities will complement each other’s technologies in the pursuit of science despite being nearly 2,500 miles apart.

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.

Researchers offer US roadmap to close the carbon cycle

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. 

Researchers relied on support from ORNL’s Quantum Computing User Program to simulate a key quantum state at one of the largest scales reported. The findings could mark a step toward improving quantum simulations. Credit: Getty Images

Steering toward quantum simulation at scale

Researchers simulated a key quantum state at one of the largest scales reported, with support from the Quantum Computing User Program, or QCUP, at ORNL. 

ORNL engineer Canan Karakaya uses computational modeling to design and improve chemical reactors and how they are operated to convert methane, carbon dioxide, ammonia or ethanol into higher-value chemicals or energy-dense fuels. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Molecules in action: Canan Karakaya peers into reactor design using computational modeling

Canan Karakaya, a R&D Staff member in the Chemical Process Scale-Up group at ORNL, was inspired to become a chemical engineer after she experienced a magical transformation that turned ammonia gas into ammonium nitrate, turning a liquid into white flakes gently floating through the air. 

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

Greenfield joins ORNL to bridge ITER, US fusion research

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

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

National Society of Black Physicists members tour ORNL, discuss “Frontiers in Physics”

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.