A new peptoid force field better predicts the cis/trans equilibrium of peptoids in multiple solvents.

Nanoscale domains of magnetically susceptible critical materials encounter enhanced magnetic interactions under external magnetic fields, providing a promising new avenue for separations.

A new approach combining computational processes enables the more accurate simulation of nuclear quantum effects in molecular systems.

Researchers at PNNL shared advances in artificial intelligence, cybersecurity, advanced imaging, and more at the Department of Homeland Security Research, Development, Test, and Evaluation Summit.

PermitAI’s newly released dataset, NEPATEC 2.0, captures and curates environmental review data for faster, better federal permitting.

Micron and PNNL co-design the Crete computer system, delivering a new memory architecture for data-intensive scientific computing and AI applications.

This summer, scientists at PNNL led discussions on their latest research related to artificial intelligence and One Health at the Health and Environmental Sciences Institute conference.

Aaron Luttman and Jonathan Forman represented PNNL at the high-profile "Risk and Reduction Science and Policy Forum" organized by Johns Hopkins University and supported by the Defense Threat Reduction Agency.

After isolating copper hydride monomers, researchers identified the mechanistic details of catalyst aggregation and cluster formation.

Scientists have tapped AI and powerful computing to speed up how quickly officials are able to learn important details about nuclear events.

Trace amounts of iron and chromium can incorporate into gibbsite, affecting how the mineral dissolves.

Quantum computing promises leaps in chemistry and materials science, and PNNL is preparing to realize its potential with a collaborative approach.

Researchers from PNNL and Parallel Works, Inc., applied machine learning methods to predict how much oxygen and nutrients are used by microorganisms in river sediments.

Christina Lomasney moderates panel on commercialization pathways for emerging artificial intelligence and high-performance computing technologies.

Jonathan Barr, senior systems engineer at PNNL, was recently invited to co-present on a panel at the Texas Department of Emergency Management Annual Conference.

More than 25,000 participants from industry, government, academia, and the public attended the event.

Properly identifying iodoplumbate species that are present and stable in a perovskite precursor solution is vital. New research offers insight into reactivity and dynamical processes in solution and the chemical properties of precursors.

PNNL-hosted workshop highlighted how AI-driven tools are capable of transforming labor-intensive NEPA processes into streamlined, efficient workflows.

This study presents an automated method to detect and classify open- and closed-cell mesoscale cellular convection (MCC) using long-term ground-based radar observations.

A new time-dependent wavefunction formulation for the cumulant Green’s functions can produce more accurate simulations.