Exascale’s New Frontier: ExaBiome
PI: Kathy Yelick Lawrence Berkeley National Laboratory In 2016, the Department of Energy’s Exascale Computing Project, or ECP, set out to develop advanced software for the arrival of exascale-class supercomputers capable of a quintillion (1018) or more calculations per second. That meant rethinking, reinventing and optimizing dozens of scientific applications…
Matt LakinSeptember 23, 20246 minExascale’s New Frontier: CANDLE
PI: Rick Stevens Associate Laboratory Director, Computing, Environment and Life Sciences, Argonne National Laboratory In 2016, the Department of Energy’s Exascale Computing Project (ECP) set out to develop advanced software for the arrival of exascale-class supercomputers capable of a quintillion (1018) or more calculations per second. That leap meant rethinking,…
Coury TurczynSeptember 4, 20248 min
Breaking Benchmarks: Frontier Supercomputer Sets New Standard in Molecular Simulation
When scientists pushed the world’s fastest supercomputer to its limits, they found those limits stretched beyond even their biggest expectations. The Frontier supercomputer at the Department of Energy’s Oak Ridge National Laboratory set a new ceiling in performance when it debuted in 2022 as the first exascale system in history…
Matt LakinMay 13, 20246 min
Something in the Water Does Not Compute
Computational scientists at the Department of Energy’s Oak Ridge National Laboratory have published a study in the Journal of Chemical Theory and Computation that questions a long-accepted factor in simulating the molecular dynamics of water: the 2 femtosecond (one quadrillionth of a second) time step. The femtosecond is a timescale…
Coury TurczynMay 6, 20247 min
ORNL and SLAC Team Up for Breakthrough Biology Projects
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…
Coury TurczynMay 6, 202410 min
New Data Processing Automation Grows Plant Science at ORNL
At the Department of Energy’s Oak Ridge National Laboratory, scientists studying plant characteristics have access to sophisticated robotic imaging tools and sensors at the Advanced Plant Phenotyping Laboratory, or APPL. This greenhouse-like lab offers one of the most diverse suites of imaging capabilities for plant phenotyping worldwide, letting scientists quickly…
Betsy SonewaldApril 15, 20245 min
Fungal ‘Bouncers’ Patrol Plant-Microbe Relationship
By Stephanie Seay, ORNL A new computational framework created by Oak Ridge National Laboratory researchers is accelerating their understanding of who's in, who's out, who’s hot and who's not in the soil microbiome, where fungi often act as bodyguards for plants, keeping friends close and foes at bay. The research…
OLCF Staff WriterJanuary 17, 20246 min
Advancing Nanoscience Through Largescale MD Simulations
Over the past decade, teams of engineers, chemists and biologists have analyzed the physical and chemical properties of cicada wings, hoping to unlock the secret of their ability to kill microbes on contact. If this function of nature can be replicated by science, it may lead to products with inherently…
Coury TurczynJuly 14, 20239 min
New Insights Into a Shapeshifting Protein Complex
Transcription factor IIH, or TFIIH, pronounced “TF two H,” is a veritable workhorse among the protein complexes that control human cell activity. It plays critical roles both in transcription — the highly regulated enzymatic synthesis of RNA from a DNA template — and in the repair of damaged DNA. But…
Coury TurczynJuly 7, 20238 min
ORNL Supercomputing Resources Support Simulation of Influenza Virus Showing Universal Vaccine Promise
According to the World Health Organization, each year influenza infects an estimated 1 billion people worldwide. Between 3 and 5 million of these cases are severe, and up to 650,000 cases result in influenza-related respiratory deaths. Seasonal flu vaccines are reformulated each year to match the dominant strains, and when…
Quinn BurkhartFebruary 22, 20235 min
Autocoding Cancer
An algorithm developed by the US Department of Energy’s (DOE’s) Oak Ridge National Laboratory (ORNL) in partnership with the National Cancer Institute (NCI) is speeding up classification, or coding, of cancer pathology reports. The early results from the Cancer Moonshot program show that the algorithm dramatically reduces the time it…
Betsy SonewaldFebruary 10, 20236 min
Computational Study Finds Genetic Links, Therapy Targets for Varicose Veins
Media Contact: Stephanie G Seay As part of a multi-institutional research project, scientists at the Department of Energy’s Oak Ridge National Laboratory leveraged their computational systems biology expertise and the largest, most diverse set of health data to date to explore the genetic basis of varicose veins. The team identified…
OLCF Staff WriterJanuary 30, 20236 min
Predicting Protein Targets and the Molecules that Bind with Them
When the COVID-19 pandemic brought the world to a standstill in 2020, pharmaceutical companies countered with remarkable speed to develop mRNA vaccines by the end of that year. Creating new antiviral drugs to treat those who became infected by the deadly coronavirus took about another year of work—astoundingly quick compared…
Coury TurczynNovember 14, 20228 min
Solving the Protein Puzzle
A simple scoop of soil or water can hold an entire ecosystem–potentially millions or more microscopic organisms and the countless proteins they rely on to survive. Computations performed at the U.S. Department of Energy’s Oak Ridge National Laboratory could help count, sort and catalog each of those proteins in record…
Matt LakinOctober 28, 20225 min
Fast-Tracking Medical Discovery
The world’s fastest supercomputer could help discover the next great cure hiding in plain sight. Researchers at the U.S. Department of Energy’s Oak Ridge National Laboratory used Frontier, the world’s first exascale computer, to scan hundreds of thousands of biomedical concepts from millions of scientific publications in search of potential…
Matt LakinOctober 25, 20226 min