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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.
![ORNL researchers have teamed up with other national labs to develop a free platform called Open Energy Data Initiative Solar Systems Integration Data and Modeling to better analyze the behavior of electric grids incorporating many solar projects. Credit: Andy Sproles/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2024-05/unlockSolar_v3.jpg?h=d1cb525d&itok=OV12P9tQ)
ORNL researchers have teamed up with other national labs to develop a free platform called Open Energy Data Initiative Solar Systems Integration Data and Modeling to better analyze the behavior of electric grids incorporating many solar projects.
![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](/sites/default/files/styles/list_page_thumbnail/public/2024-05/Picture3.jpg?h=d83e8acc&itok=toBATwfl)
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](/sites/default/files/styles/list_page_thumbnail/public/2024-05/52045815029_8db78e8afa_k.jpg?h=a1e1a043&itok=ezaynsIv)
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.
![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.
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’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.