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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.
Groundbreaking report provides ambitious framework for accelerating clean energy deployment while minimizing risks and costs in the face of climate change.
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.
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.
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.
Held in Cocoa Beach, Florida from March 11 to 14, researchers across the computing and data spectra participated in sessions developed by staff members from the Department of Energy’s Oak Ridge National Laboratory, or ORNL, Sandia National Laboratories and the Swiss National Supercomputing Centre.
An international team using neutrons set the first benchmark (one nanosecond) for a polymer-electrolyte and lithium-salt mixture. Findings could produce safer, more powerful lithium batteries.