Delivering an integrated quantum-mechanical and experimental perspective on the effects of both intrinsic and externally applied electric fields at atomic-scale interfaces.

Isotopically layered water films and slow heating enable diffusion tracking.

Brown University professor and PNNL joint appointee was honored for his exceptional work in applied mathematics.

A team combined experiments and theory to predict the collective properties of electrolyte solutions.

The first measurement of the proton diffusion constant at cryogenic temperatures provides insights into the mechanism of proton movement in supercooled water.

PNNL researchers have published their paper, “Introducing Molecular Hypernetworks for Discovery in Multidimensional Metabolomics Data,” in the Journal of Proteome Research.

The Center for Continuum Computing at PNNL aims to integrate cloud platforms, high-performance computing, and edge devices into a seamless ecosystem that accelerates scientific discovery.

Formal mathematics both reveals what’s inside the black box of AI algorithms and pushes the boundary of what’s possible within math as a discipline.

Chemist Wendy Shaw, a nationally recognized scientific leader, has been chosen to serve as the associate laboratory director for PNNL's Physical and Computational Sciences Directorate.

A potential quantum advantage for fluid dynamics simulations from molecular to atmospheric scales with a new formula for success.

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

Federal environmental permitting process to be fast-tracked with AI-powered tools and cloud-supported data analysis.

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

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

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

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.

The Department of Energy’s Vehicle Technologies Office recognized Livewire’s outstanding teamwork and technical expertise.

Research at PNNL and the University of Texas at El Paso are addressing computational challenges of thinking beyond the list and developing bioagent-agnostic signatures to assess threats.