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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 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.
![Chengyun Hua](/sites/default/files/styles/list_page_thumbnail/public/2024-04/2017-P03617.jpg?h=49ab6177&itok=WXc1E3-9)
The Quantum Voices series is designed to share the stories of the quantum researchers and technical experts behind the Quantum Science Center’s past, present and future accomplishments. Chengyun Hua is highlighted for this edition, talking about her role in the Quantum Science Center.
Simulations performed on the Summit supercomputer at ORNL are cutting through that time and expense by helping researchers digitally customize the ideal alloy.
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.
![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.
![Campus](/sites/default/files/styles/list_page_thumbnail/public/2024-04/sunset_visitor-center.png?h=10d202d3&itok=tGr8drzM)
Rishi Pillai and his research team from ORNL will receive a Best Paper award from the American Society of Mechanical Engineers International Gas Turbine Institute in June at the Turbo Expo 2024 in London.
![Three ORNL researchers receive Outstanding Young Manufacturing Engineer Award](/sites/default/files/styles/list_page_thumbnail/public/2024-04/2013-P05160-cropped_1.jpg?h=55be468c&itok=V0dSpq0r)
The Society of Manufacturing Engineers has honored three Oak Ridge National Laboratory researchers with the 2024 SME Susan Smyth Outstanding Young Manufacturing Engineer Award.