A new database allows researchers to connect lattice parameters and composition in olivine.

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

Scientists are developing ways to detect previously unseen forms of fentanyl as well as other synthetic opioids known as nitazenes.

The search for dark matter includes expertise in radio frequency signal detection, quantum sensing, and high-energy physics at PNNL.

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.

Protecting critical systems such as the electrical grid from cyber-based risks to the supply chain is the focus of a new PNNL conference.

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

A team of researchers at PNNL is developing a new approach to explore the higher-dimensional shape of cyber systems to identify signatures of adversarial attacks.

Samrat (Sam) Chatterjee, a PNNL chief data scientist and team leader with the Data Sciences and Machine Intelligence group, was co-author of a CSET workshop report on agentic artificial intellilligence

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

PNNL computational and data scientist Mark Maupin was the team lead for a paper published in the journal Molecules.

Lauren Charles, a chief data scientist at PNNL, has been named an affiliate member of Global One Health Academy at North Carolina State University.

Operators of critical infrastructure are trained to respond to cyberattacks using scale models of water treatment plants, freight rail yards, and more.

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

Ryan Eddy, director of homeland security programs at PNNL, was recognized as one of 50 trailblazers by Homeland Security Today.

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

ARQUIN computational pipeline provides a holistic framework for simulating a system with distributed quantum computing ingredients.

PNNL researchers will pursue both fundamental and applied projects with this support from the Department of Energy

At PNNL, researchers are taking a wider look at the system through the supply chain’s lifecycle and subcomponents to determine the big-picture risks.

PNNL biodefense experts seek to identify, understand and mitigate the risks of biological pathogens—whether naturally occurring or intentionally created—so steps can be taken to prepare and respond.