Tag: Pacific Northwest National Laboratory

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Scientists turn to the cloud for computational chemistry

Illustration: Fanciful view of cloud containing molecular structures, circuitry and test tubes
Researchers are finding ways to speed up computational chemistry through cloud computing. (Illustration by Nathan Johnson / PNNL)

A team led by researchers from the Pacific Northwest National Laboratory is finding new ways to accelerate the pace of computational chemistry, by making tools for quantum computing and AI-assisted data analysis available via the cloud.

Their effort to make supercomputer-scale resources more widely available through cloud computing could aid in the search for methods to break down toxic “forever chemicals” that are currently hard to get rid of. And that’s just one example.

The researchers describe their progress on the project — known as Transferring Exascale Computational Chemistry to Cloud Computing Environment and Emerging Hardware Technologies, or TEC4 — in a study published today in the Journal of Chemical Physics.

“This is an entirely new paradigm for scientific computing,” PNNL computational chemist Karol Kowalski, who led the cross-disciplinary effort, said in a news release. “We have shown that it’s possible to bundle software as a service with cloud computing resources. The initial proof of concept shows that cloud computing can provide a menu of options to complement and supplement high-performance computing for solving complex scientific problems.”

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Scientists take a freeze-frame look at excited electrons

Illustration: X-ray pulses blasting water molecules
Scientists used a pair of X-ray pulses (shown in pink and green) to study the energetic response of electrons (gold) in liquid water on attosecond time scales, while the hydrogen (white) and oxygen (red) atoms are ‘frozen’ in time. (Pacific Northwest National Laboratory / Nathan Johnson)

An international team of scientists has blazed a new trail for studying how atoms respond to radiation, by tracking the energetic movement of electrons when a sample of liquid water is blasted with X-rays.

The experiment, described in this week’s issue of the journal Science, required “freezing” the motion of the atoms with which the electrons were associated, on a scale of mere attoseconds. An attosecond is one-quintillionth of a second — or, expressed another way, a millionth of a trillionth of a second.

Attosecond-scale observations could provide scientists with new insights into how radiation exposure affects objects and people.

“What happens to an atom when it is struck by ionizing radiation, like an X-ray? Seeing the earliest stages of this process has long been a missing piece in understanding how radiation affects matter,” Xiaosong Li, a chemistry professor at the University of Washington and a laboratory fellow at the Pacific Northwest National Laboratory, said in a UW news release. “This new technique for the first time shows us that missing piece and opens the door to seeing the steps where so much complex — and interesting — chemistry occurs!”

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Federally funded lab enlists AI to safeguard security

Portrait of Court Corley, chief scientist for AI at PNNL
Court Corley leads the Center for AI @PNNL. (Pacific Northwest National Laboratory Photo / Andrea Starr)

Bringing artificial intelligence to bear on issues relating to nuclear weapons might sound like the stuff of a scary sci-fi movie — but at the Department of Energy’s Pacific Northwest National Laboratory, it’s just one of the items on the to-do list.

One of PNNL’s research priorities is to identify and combat complex threats to national security, and AI can help meet that priority by detecting attempts to acquire nuclear weapons or associated technology.

Nuclear proliferation detection is one of the potential applications that could get an assist from the Center for AI @PNNL, a newly announced effort to coordinate research that makes use of AI tools — including the generative AI tools that have captured the attention of the tech world over the past year or two.

“For decades we’ve been doing artificial intelligence,” center director Court Corley, PNNL’s chief scientist for AI, told me in a recent interview. “What we’re seeing now, though, is an exceptional phase shift in where AI is being used and how it’s being used.”

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Pacific Northwest National Lab creates a new AI center

PNNL team monitoring electrical grid activity
Keeping the electrical grid humming is one focus of AI research at the Pacific Northwest National Laboratory. (PNNL Photo / Andrea Starr)

The Department of Energy’s Pacific Northwest National Laboratory is shining a brighter spotlight on artificial intelligence by creating the Center for AI @PNNL, but don’t expect the lab’s researchers to build a better chatbot.

Instead, the center is meant to advance AI applications that boost PNNL’s capabilities in its traditional focus areas, including scientific discovery, national security and energy resilience.

“The creation of the Center for AI @PNNL will leverage and amplify these capabilities for even greater impact in service of our nation,” PNNL Director Steven Ashby said today in a news release.

Today’s announcement coincides with the annual Conference on Neural Information Processing Systems, or NeurIPS, which is taking place this week in New Orleans. The center’s creation serves as further evidence that AI tools are rapidly transforming a wide range of scientific and technical fields.

“The time is right for PNNL to focus its AI-related efforts,” said Court Corley, PNNL’s chief scientist for AI and director of the new center. “The field is moving at light speed, and we need to move quickly to keep PNNL at the frontier.”

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Zeno Power tests a new type of nuclear heat source

PNNL team removes heat source from transfer port
Team members at Pacific Northwest National Laboratory remove Zeno Power's heat source from a transfer port. (Zeno Power Photo)

Zeno Power says it has successfully completed its first demonstration of a new type of radioisotope heat source that could be used to generate off-grid power in settings ranging from the bottom of the ocean to the surface of the moon.

The demonstration — performed at Pacific Northwest National Laboratory in Richland, Wash. — took advantage of the energy provided by the radioactive decay of strontium-90. Zeno said its tests confirmed that the company’s technology can increase the specific power of its heat source compared with previously available strontium-90 heat sources.

Zeno uses radioisotope heat sources as the building blocks for its power-generating systems, which are designed to convert constant thermal energy into electricity. Strontium-90, which is typically created as a byproduct of nuclear fission, is an abundant fuel for such systems — but existing strontium-based power systems tend to be bulky. Zeno’s design could generate more power with less bulk, opening the way for a wider range of applications.

The work at PNNL involved radioactive and non-radioactive activities, including chemical processing and fuel fabrication, materials handling and heat source characterization. The test data will support further development of heat sources.

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Could the Pacific Northwest become ‘Quantum Valley’?

Physicists adjust quantum hardware at PNNL
Christian Boutan and Jihee Yang adjust quantum hardware at Pacific Northwest National Laboratory. (PNNL Photo / Andrea Starr)

California’s Silicon Valley may rule the roost for internet startups, and Kendall Square in the Boston area may set the pace for the biotech industry, but could the Pacific Northwest leap into the lead for quantum computing?

Experts who are exploring one of the computing world’s hottest frontiers say there’s a chance that Seattle could become the heart of a “Quantum Valley” — but it could take years for the promise of quantum computing to pay off.

“I’d say we’re on the order of a decade plus before we start to see this start to really materialize,” said Louis Terminello, associate laboratory director for physical and computational sciences at the U.S. Department of Energy’s Pacific Northwest National Laboratory.

Terminello is among the authors of a recent commentary calling for increased public investment to solidify the Pacific Northwest as home of the nation’s top regional cluster for research and development in quantum information science — in short, Quantum Valley.

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Microbes could blaze a trail for farmers on Mars

SpaceX Falcon 9 launch
SpaceX’s Falcon 9 rocket rises from its Florida launch pad. (SpaceX via YouTube)

An experiment that’s on its way to the International Space Station focuses on a subject that’s as common as dirt, but could be the key to growing crops in space.

The NASA-funded experiment — known as Dynamics of Microbiomes in Space, or DynaMoS — is being conducted by researchers at the Pacific Northwest National Laboratory. DynaMoS makes use soil and bacteria that were collected at a Washington State University field site in Prosser, Wash.

“Soil microbes are the hidden players of the life support system on planet Earth,” PNNL chief scientist Janet Jansson, the principal investigator for the DynaMoS experiment, explained during a pre-launch news briefing. The bacteria work to break down organic matter and make nutrients available for growing plants.

Space missions could extend the microbes’ reach beyond our home planet. “Soil microbes can help to make conditions on the lunar surface and Mars more favorable for plant growth,” Jansson said. “They can also be used to help grow crops on space stations and during long-term spaceflight.”

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Public-private partnership builds quantum supply chain

Barium ion chain
This photomicrograph shows a chain of barium ions in an IonQ quantum computing system. (IonQ Photo)

Dare we say it? Pacific Northwest National Laboratory has teamed up with IonQ to come up with a method for producing barium ions for quantum computing that could lead to … yes, that’s right, a quantum leap.

The public-private partnership could open up a new avenue for developing more resilient, more powerful hardware for trapped-ion quantum computers. The key technology involves using barium ions as the foundation for qubits, the quantum equivalent of binary bits in classical computing.

“IonQ’s work with PNNL to secure the domestic supply chain of IonQ’s quantum computing qubits is a fundamental step in the mass commercialization of quantum computing,” IonQ’s president and CEO, Peter Chapman, said today in a news release. “Qubits are at the core of our quantum computers, and this collaboration with PNNL lays the foundation for us to scale manufacturing of our systems.”

The partners say PNNL’s production process will provide a steady supply of barium-based qubits, using a microscopic smidgen of source material. That should make it possible for IonQ to reduce the size of core system components, which should in turn make it easier to network quantum computers.

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Northwest researchers get in on a quantum leap

Microsoft's Krysta Svore at AAAS
Krysta Svore, who leads the Microsoft Quantum – Redmond group at Microsoft Research, explains how quantum computing hardware works at a Seattle science meeting in February. (GeekWire Photo / Alan Boyle)

Microsoft, the Pacific Northwest National Laboratory and the University of Washington are playing supporting roles in the White House’s $1 billion effort to advance research into artificial intelligence and quantum information science.

Those three organizations have already been working together through the Northwest Quantum Nexus to develop the infrastructure for quantum computers, which promise to open up new possibilities in fields ranging from chemistry to systems optimization and financial modeling.

The initiatives announced today are likely to accelerate progress toward the development of commercial-scale quantum computers, Chetan Nayak, Microsoft’s general manager for quantum hardware, said in a blog posting.

“Today marks one of the U.S. government’s largest investments in the field,” he said. “It is also a noteworthy moment for Microsoft, which is providing scientific leadership in addition to expertise in workforce development and technology transfer.”

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Verizon teams up with PNNL on 5G applications

Cybersecurity is one of the issues that will be the subject of Pacific Northwest National Laboratory’s research into 5G applications. (Verizon / PNNL via YouTube)

Verizon says it’s bringing its 5G ultra wideband wireless network to Pacific Northwest National Laboratory in Richland, Wash., and will collaborate with the lab on 5G applications that can benefit everything from chemistry research to electrical grid protection to the needs of first responders.

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