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Media Contacts
![Frontier supercomputer sets new standard in molecular simulation](/sites/default/files/styles/list_page_thumbnail/public/2024-05/OLCF_LammpsBanner.png?h=ae114f5c&itok=h_Bam9gm)
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](/sites/default/files/styles/list_page_thumbnail/public/2024-05/02-09-24%20Vibrometer%20Meas.jpg?h=d06c0bb9&itok=BaIHxm7O)
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.
![Study reveals flaw in long-accepted approximation used in water simulations](/sites/default/files/styles/list_page_thumbnail/public/2024-05/Coury%20water%20sxs.png?h=08b251e7&itok=jz-P3SBd)
Computational scientists at ORNL have published a study that questions a long-accepted factor in simulating the molecular dynamics of water: the 2 femtosecond time step. According to the team’s findings, using anything greater than a 0.5 femtosecond time step can introduce errors in both the dynamics and thermodynamics when simulating water using a rigid-body description.
![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.](/sites/default/files/styles/list_page_thumbnail/public/2024-05/GettyImages-887377090%20%281%29.jpg?h=73e7f248&itok=QYmqPfWv)
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.
Simulations performed on the Summit supercomputer at ORNL are cutting through that time and expense by helping researchers digitally customize the ideal alloy.
![New research predicts peak groundwater extraction for key basins around the globe by the year 2050. The map indicates groundwater storage trends for Earth’s 37 largest aquifers using data from the NASA Jet Propulsion Laboratory GRACE satellite. Credit: NASA.](/sites/default/files/styles/list_page_thumbnail/public/2024-04/GroundwaterGRACE%20%281%29.jpg?h=3c857b1a&itok=g_tWUVHW)
Groundwater withdrawals are expected to peak in about one-third of the world’s basins by 2050, potentially triggering significant trade and agriculture shifts, a new analysis finds.
![ORNL researchers modeled how hurricane cloud cover would affect solar energy generation as a storm followed 10 possible trajectories over the Caribbean and Southern U.S. Credit: Andy Sproles/ ORNL,U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2024-04/hurricanSolar_v1.jpg?h=d2fcd49e&itok=p12nhk7c)
ORNL researchers modeled how hurricane cloud cover would affect solar energy generation as a storm followed 10 possible trajectories over the Caribbean and Southern U.S.
![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](/sites/default/files/styles/list_page_thumbnail/public/2024-04/QCUP_Potterstudy.png?h=ae114f5c&itok=vAelg9M2)
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](/sites/default/files/styles/list_page_thumbnail/public/2024-03/2024-P03340.jpg?h=e6a52188&itok=crvddM9b)
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.
![ORNL’s Kate Evans has been awarded the 2024 Society for Industrial and Applied Mathematicians Activity Group on Mathematics of Planet Earth Prize.](/sites/default/files/styles/list_page_thumbnail/public/2024-03/Evans_SIAM.jpg?h=c6980913&itok=2lgbSBjY)
Kate Evans, director for the Computational Sciences and Engineering Division at ORNL, has been awarded the 2024 Society for Industrial and Applied Mathematicians Activity Group on Mathematics of Planet Earth Prize.