Electronic structure codes in a cloud environment can enable efficient computational chemistry simulations.

CACTUS provides AI-powered cheminformatics for autonomous science.

Molecular simulations highlight the key interactions between mineral surfaces and organic matter that lead to carbon stabilization in soils.

For 50 years, the NNSA and its predecessor DOE organizations have stewarded the resources and capabilities to respond to nuclear and radiological emergencies in the United States and around the world.

Harilal, a physicist at PNNL and a Jedi in laser-produced plasma applications, has been named a member of the Institute of Electrical and Electronics Engineers Class of 2025 fellows.

PNNL’s year in review includes highlights ranging from advancing soil science to understanding Earth systems, expanding electricity transmission, detecting fentanyl, and applying artificial intelligence to aid scientific discovery.

A team of researchers recently coordinated a series of international workshops aimed at enhancing chemical research security and fostering collaboration among scientists and academic researchers from both countries.

New IDREAM research explores the effects of electrolyte species on boehmite nanoparticle aggregation in legacy wastes.

Pacific Northwest National Laboratory researchers developed a new theoretical method for studying highly correlated systems.

How to keep stray radiation from “shorting” superconducting qubits; a pair of studies shows where ionizing radiation is lurking and how to banish it.

University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design.

Over the past three years, PNNL’s Know Your Collaborator (KYC) workshop series has engaged hundreds of academic partners and institutional researchers internationally on the topic of research security.

Calculating quantum chemistry quickly allows scientists to refine their understanding of complex chemical systems.

The speed and agility of cloud computing opens doors to completing advanced computational chemistry workflows in days instead of months.

Researchers discussed this topic at the 2024 Analog Computing for Science Workshop co-led by Antonino Tumeo.

International compliance analyst Madalina Man highlighted the history of international safeguards on a podcast by the United Arab Emirates Federal Authority for Nuclear Regulation.

Proton shuffling in hydrated nicotine at low temperatures occurs via a Grotthuss mechanism, identified through experimental and computational work.

Staff at PNNL recently traveled to Cyprus to facilitate a multilateral workshop on chemical forensics investigations hosted by the U.S. Department of State, Office of Weapons of Mass Destruction Terrorism.

Three PNNL researchers will receive five continuous years of funding for projects through highly competitive DOE Early Career Research Program awards.

A launch from Cape Canaveral early today carried a PNNL experiment to space so scientists can learn more about radiation far above Earth.