CACTUS provides AI-powered cheminformatics for autonomous science.

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.

Pasco School District teachers join PNNL for an immersive teaching experience.

Scientists at PNNL were awarded nearly $12 million to better understand pathogens, how they spread, and how to prepare the nation against future outbreaks.

Summer internship programs with partnering colleges provide pathways for students to explore careers in science, technology, engineering, and math.

Computational chemistry libraries from NWChem, NWChemEX, SPEC, and more are now available on Azure Quantum Elements.

PNNL researchers outline open problems in different scientific areas in the Journal of Combinatorics.

Advances in understanding the nature of the chemical bond are featured in this special issue of The Journal of Chemical Physics.

PNNL welcomes new joint appointments to expand the research productivity and scientific impact of both PNNL and the university partners, broadening the base of expertise at each institution and helping to build interdisciplinary teams.

The work by the team at PNNL takes a critical step in leveraging ML to accelerate advanced manufacturing R&D, specifically for manufacturing techniques without access to efficient, first-principles simulations.

PNNL joint appointee Auroop Ganguly uses data science to study the impacts of climate change.

Launching a premier partnership, PNNL and the University of Texas El Paso (UTEP) signed a memorandum of agreement on UTEP’s campus on October 6.

SEA-CROGS is one of four Mathematical Multifaceted Integrated Capability Centers selected for support by the Department of Energy.

New research makes molecular-level calculations of water faster and easier.

PNNL researchers created a model that helps materials scientists not only predict what is, but what could be.

PNNL researchers utilized the Peeters-Devreese-Soldatov formulation to improve the accuracy of calculations for quantum chemistry.

PNNL researchers developed a way to produce accurate simulations of complex physical systems using renormalized approximations across multiple scales

Hypergraphs can more faithfully identify important genes in complex immune responses.

New mathematical tools developed at PNNL hold promise to transform the way we operate and defend complex cyber-physical systems, such as the power grid.

Predictive models indicate cells regulate enzyme activity to maintain liquid center.