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.
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.
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.
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 simulated a key quantum state at one of the largest scales reported, with support from the Quantum Computing User Program, or QCUP, at ORNL.
Researchers at the Statewide California Earthquake Center are unraveling the mysteries of earthquakes by using physics-based computational models running on high-performance computing systems at ORNL. The team’s findings will provide a better understanding of seismic hazards in the Golden State.
From July 15 to 26, 2024, the Department of Energy’s Oak Ridge National Laboratory will host the second U.S. Quantum Information Science, or QIS, Summer School.
New computational framework speeds discovery of fungal metabolites, key to plant health and used in drug therapies and for other uses.
ORNL’s successes in QIS and its forward-looking strategy were recently recognized in the form of three funding awards that will help ensure the laboratory remains a leader in advancing quantum computers and networks.