Feature Articles

A team of collaborators from the U.S. Department of Energy’s Oak Ridge National Laboratory, Google Inc., Snowflake Inc. and Ververica GmbH has tested a computing concept that could help speed up real-time processing of data that stream on mobile and other electronic devices.

A team has used machine learning descriptions of interatomic interactions on the 200-petaflop Summit supercomputer at ORNL to model more than a billion carbon atoms at quantum accuracy and observe how diamonds behave under some of the most extreme pressures and temperatures imaginable.

Scientists used the nation’s fastest supercomputer to peer inside the intricacies of how the SARS-CoV-2 virus reproduces itself.

A team of scientists from the U.S. Department of Energy’s Oak Ridge National Laboratory used the nation’s fastest supercomputer to streamline the search for potential treatments for COVID-19.

A team led by Rommie Amaro of the University of California San Diego has used ORNL’s Summit supercomputer to model an aerosolized SARS-CoV-2 viral particle for the first time. The 1.05-billion-atom system is among the largest biochemical system ever simulated at the atomic level.

A research team successfully captured the most detailed view to date of water’s hydrogen bonding patterns around DNA. The findings, produced in part through neutron scattering at Oak Ridge National Laboratory, open new possibilities for studying how water impacts DNA function.

Quantum entanglement occurs when two particles appear to communicate without a physical connection, a phenomenon Albert Einstein famously called “spooky action at a distance.” Nearly 90 years later, a team led by the U.S. Department of Energy’s Oak Ridge National Laboratory demonstrated the viability of a “quantum entanglement witness” capable of proving the presence of entanglement between magnetic particles, or spins, in a quantum material.

Researchers at the Department of Energy’s (DOE’s) Oak Ridge National Laboratory (ORNL) did to study the SARS-CoV-2 virus that caused the COVID-19 pandemic. The team used neutrons and x-rays to map part of the internal structure of the coronavirus to create an accurate 3-D model. Specifically, the scientists mapped the main protease (Mpro), an enzyme involved in the virus replication, to which they added test inhibitor molecules discovered using high-speed computer screening. One test inhibitor, labeled HL-3-68, demonstrated a superior ability to bind to and inhibit the function of Mpro compared to others that were tested. Details of the study, titled “Structural, electronic and electrostatic determinants for inhibitor binding to subsites S1 and S2 in SARS-CoV-2 main protease,” are published in the Journal of Medicinal Chemistry.

Analytical chemists at the Department of Energy’s Oak Ridge National Laboratory have developed a rapid way to measure isotopic ratios of uranium and plutonium collected on environmental swipes, which could help International Atomic Energy Agency analysts detect the presence of undeclared nuclear activities or material.